Geometry & MOs

Info

ID:	236629
PubChem CID:	92714256
Reduced:	N4O5H20C22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	393.124405
ΔH_f, kcal/mol:	-31.9
Dipole, Da:	5.93
IP(EA), eV:	-8.67(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-chloro-4-methylanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

DOS

IR

Vibrations