Geometry & MOs

Info

ID:	270952
PubChem CID:	103638975
Reduced:	FNOBr2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	363.04456
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	4.6
IP(EA), eV:	-9.47(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations