Geometry & MOs

Info

ID:	236715
PubChem CID:	92714547
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	14.4
Dipole, Da:	4.72
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-phenyl-7-(3,4,5-trimethoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations