Geometry & MOs

Info

ID:	236730
PubChem CID:	92714600
Reduced:	ON3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	59.92
Dipole, Da:	3.19
IP(EA), eV:	-8.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,4-dimethylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations