Geometry & MOs

Info

ID:	236636
PubChem CID:	92714290
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	370.142976
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	2.5
IP(EA), eV:	-8.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations