Geometry & MOs

Info

ID:	236519
PubChem CID:	92713787
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	361.15904
ΔH_f, kcal/mol:	-72.32
Dipole, Da:	5.36
IP(EA), eV:	-8.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,3-dimethylanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations