Geometry & MOs

Info

ID:	236593
PubChem CID:	92714141
Reduced:	FO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	363.138305
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	3.72
IP(EA), eV:	-8.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(5-fluoro-2-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4F

DOS

IR

Vibrations