Geometry & MOs

Info

ID:	236587
PubChem CID:	92714109
Reduced:	OSN4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	399.119461
ΔH_f, kcal/mol:	91.08
Dipole, Da:	5.41
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C([C@H](N(C2=O)CC3=CC=CS3)NC4=CC=C(C=C4)C#N)N=C1

DOS

IR

Vibrations