Geometry & MOs

Info

ID:	249164
PubChem CID:	103087329
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	297.056583
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	2.52
IP(EA), eV:	-7.81(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-methylsulfanylbutyl)-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NCCCCSC

DOS

IR

Vibrations