Geometry & MOs

Info

ID:	288888
PubChem CID:	104327792
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	331.99605
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	3.8
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-cyanophenyl)-4-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations