Geometry & MOs

Info

ID:	236562
PubChem CID:	92714020
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	-75.47
Dipole, Da:	3.5
IP(EA), eV:	-8.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations