Geometry & MOs

Info

ID:	202601
PubChem CID:	79697134
Reduced:	ClO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	323.091077
ΔH_f, kcal/mol:	-166.98
Dipole, Da:	4.44
IP(EA), eV:	-8.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(3-fluoro-5-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)OC)(C(OC)OC)O

DOS

IR

Vibrations