Geometry & MOs

Info

ID:	272012
PubChem CID:	103716863
Reduced:	SN2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	289.111205
ΔH_f, kcal/mol:	1.52
Dipole, Da:	1.58
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-prop-2-enylsulfanylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C)N(C)CCNC(C)C1=CC=C(C=C1)SC

DOS

IR

Vibrations