Geometry & MOs

Info

ID:	143470
PubChem CID:	53213599
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	268.084792
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	9.77
IP(EA), eV:	-10.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid

Drug info:

PubChemData

Smile

CCN1CCCN2C(=CC(=N2)C(=O)O)C1=O

DOS

IR

Vibrations