Geometry & MOs

Info

ID:	236631
PubChem CID:	92714279
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	2.96
IP(EA), eV:	-8.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations