Geometry & MOs

Info

ID:	236538
PubChem CID:	92713828
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	5.55
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations