Geometry & MOs

Info

ID:	236676
PubChem CID:	92714403
Reduced:	ON4H16C21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	340.132411
ΔH_f, kcal/mol:	86.98
Dipole, Da:	4.99
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations