Geometry & MOs

Info

ID:	173640
PubChem CID:	75664086
Reduced:	N2F3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	390.10093
ΔH_f, kcal/mol:	-231.37
Dipole, Da:	5.21
IP(EA), eV:	-9.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-chlorophenyl)-4-[[(6-methylpyridin-1-ium-2-yl)amino]methylidene]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC(=CC(=O)C(F)(F)F)NNC(=O)C1=CC=C(C=C1)O

DOS

IR

Vibrations