Geometry & MOs

Info

ID:	249149
PubChem CID:	103087229
Reduced:	SN2C14H30 (1)
Stoich.:	AB2C14D30 (1)
Weight, g/mol:	243.084848
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	1.59
IP(EA), eV:	-8.45(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)CNCCCCSC

DOS

IR

Vibrations