Geometry & MOs

Info

ID:	236559
PubChem CID:	92713953
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-70.63
Dipole, Da:	3.6
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(7S)-6-(4-ethoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations