Geometry & MOs

Info

ID:	236709
PubChem CID:	92714524
Reduced:	ClN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	5.16
IP(EA), eV:	-8.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,5-diethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4Cl)OC)OC

DOS

IR

Vibrations