Geometry & MOs

Info

ID:	236567
PubChem CID:	92714038
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	1.54
IP(EA), eV:	-8.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations