Geometry & MOs

Info

ID:	236675
PubChem CID:	92714402
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	340.132411
ΔH_f, kcal/mol:	10.8
Dipole, Da:	5.76
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations