Geometry & MOs

Info

ID:	236662
PubChem CID:	92714374
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	50.6
Dipole, Da:	6.4
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-benzyl-7-(4-ethoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations