Geometry & MOs

Info

ID:	89972
PubChem CID:	49965683
Reduced:	N3O3C35H37 (1)
Stoich.:	A3B3C35D37 (1)
Weight, g/mol:	569.040923
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	6.33
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-2-amino-6-benzyl-4-(2,6-dichlorophenyl)-8-[(2,6-dichlorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC1=CC=C(C=C1)/C=C/2\CN(CC3=C2OC(=C(C3C4=CC=C(C=C4)OC(C)C)C#N)N)CC5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC1=CC=C(C=C1)/C=C/2\CN(CC3=C2OC(=C(C3C4=CC=C(C=C4)OC(C)C)C#N)N)CC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):