Geometry & MOs

Info

ID:	236684
PubChem CID:	92714416
Reduced:	FON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	0.53
Dipole, Da:	2.7
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations