Geometry & MOs

Info

ID:	236594
PubChem CID:	92714142
Reduced:	FO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	363.138305
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	2.33
IP(EA), eV:	-8.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations