Geometry & MOs

Info

ID:	14557
PubChem CID:	414607
Reduced:	NCl2F3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	313.061189
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	5.16
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-(2-chloroethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C(C1=CC(=CC=C1)C(F)(F)F)Cl)N(C)CCCl

DOS

IR

Vibrations