Geometry & MOs

Info

ID:	236590
PubChem CID:	92714126
Reduced:	ON2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	45.11
Dipole, Da:	5.26
IP(EA), eV:	-8.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)CC#N

DOS

IR

Vibrations