Geometry & MOs

Info

ID:	269577
PubChem CID:	103618021
Reduced:	BrClNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	403.00562
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	4.89
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)OC)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations