Geometry & MOs

Info

ID:	236598
PubChem CID:	92714193
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	356.127326
ΔH_f, kcal/mol:	9.42
Dipole, Da:	2.04
IP(EA), eV:	-8.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7R)-6-(4-methoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations