Geometry & MOs

Info

ID:	216898
PubChem CID:	85086942
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	312.126263
ΔH_f, kcal/mol:	1.87
Dipole, Da:	10.97
IP(EA), eV:	-8.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-7-(2-phenylethenyl)-6H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(N2C(=C(C=N2)C#N)N=C1)C=CN(C)C

DOS

IR

Vibrations