Geometry & MOs

Info

ID:	288713
PubChem CID:	104324193
Reduced:	BrNF4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	303.126855
ΔH_f, kcal/mol:	-191.8
Dipole, Da:	3.54
IP(EA), eV:	-9.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=CC(=C1)Br)F)C(F)(F)F

DOS

IR

Vibrations