Geometry & MOs

Info

ID:	236727
PubChem CID:	92714597
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	50.79
Dipole, Da:	3.51
IP(EA), eV:	-8.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations