Geometry & MOs

Info

ID:

89970

PubChem CID:

49965679

Reduced:

N3O5C36H53 (1)

Stoich.:

A3B5C36D53 (1)

Weight, g/mol:

493.009623

ΔHf, kcal/mol:

-141.9

Dipole, Da:

2.01

IP(EA), eV:

 -8.3(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C/C(=C\C2=CC(=C(C=C2)OCCN(CC)CC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3)OCCN(CC)CC)OC)/C1

DOS

IR

Vibrations