Geometry & MOs

Info

ID:	200700
PubChem CID:	79429921
Reduced:	ClN3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	313.084512
ΔH_f, kcal/mol:	33.13
Dipole, Da:	6.19
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=N2)CC(CN)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations