Geometry & MOs

Info

ID:	276082
PubChem CID:	103820426
Reduced:	FON5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	399.92757
ΔH_f, kcal/mol:	19.51
Dipole, Da:	4.8
IP(EA), eV:	-9.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-cyano-2-fluorophenyl)-4-iodobenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)C#N)F)N2C=NC=N2

DOS

IR

Vibrations