Geometry & MOs

Info

ID:	269368
PubChem CID:	103617204
Reduced:	ClNSO2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	319.040933
ΔH_f, kcal/mol:	-36.45
Dipole, Da:	1.3
IP(EA), eV:	-8.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNCCC2=CC=C(S2)Cl)OC

DOS

IR

Vibrations