Geometry & MOs

Info

ID:	236711
PubChem CID:	92714527
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	3.54
IP(EA), eV:	-8.36(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations