Geometry & MOs

Info

ID:	236656
PubChem CID:	92714356
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	10.12
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-benzyl-7-(2-chloroanilino)-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=C4C(=O)N

DOS

IR

Vibrations