Geometry & MOs

Info

ID:	236705
PubChem CID:	92714512
Reduced:	N3O5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	6.34
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

DOS

IR

Vibrations