Geometry & MOs

Info

ID:	90020
PubChem CID:	49965833
Reduced:	OF2N3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	419.144533
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	5.15
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C/C(=C\C2=CC(=CC=C2)F)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=CC=C4)F

DOS

IR

Vibrations