Geometry & MOs

Info

ID:	236525
PubChem CID:	92713794
Reduced:	FO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	401.049796
ΔH_f, kcal/mol:	-1.86
Dipole, Da:	6.62
IP(EA), eV:	-9.26(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations