Geometry & MOs

Info

ID:	236701
PubChem CID:	92714483
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	5.8
Dipole, Da:	5.68
IP(EA), eV:	-8.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-(4-methylphenyl)-7-(2,4,6-trimethylanilino)-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=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations