Geometry & MOs

Info

ID:	249145
PubChem CID:	103087219
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	279.09047
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	2.47
IP(EA), eV:	-8.05(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-3-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NCCCCSC

DOS

IR

Vibrations