Geometry & MOs

Info

ID:	249140
PubChem CID:	103087166
Reduced:	NSC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	279.09047
ΔH_f, kcal/mol:	34.0
Dipole, Da:	4.34
IP(EA), eV:	-7.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CSCCCCNC1=CC2=C(C=C1)C3=CC=CC=C3C2

DOS

IR

Vibrations