Geometry & MOs

Info

ID:	236601
PubChem CID:	92714213
Reduced:	BrO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	21.48
Dipole, Da:	2.29
IP(EA), eV:	-8.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,4-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(=CC=C4)Br

DOS

IR

Vibrations