Geometry & MOs

Info

ID:	228670
PubChem CID:	87565516
Reduced:	NC7H13 (1)
Stoich.:	AB7C13 (1)
Weight, g/mol:	487.00179
ΔH_f, kcal/mol:	13.3
Dipole, Da:	2.17
IP(EA), eV:	-9.07(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl-[1-(2-bromo-5-fluorophenyl)ethyl]carbamic acid

Drug info:

PubChemData

Smile

CC/C=C/C=C/CN

DOS

IR

Vibrations