Geometry & MOs

Info

ID:	236518
PubChem CID:	92713785
Reduced:	OF2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	393.14887
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	2.76
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations