Geometry & MOs

Info

ID:	236723
PubChem CID:	92714578
Reduced:	FON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	4.51
Dipole, Da:	2.6
IP(EA), eV:	-8.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(7R)-5-oxo-6-phenyl-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)N2C4=CC=CC=C4

DOS

IR

Vibrations