Geometry & MOs

Info

ID:	249241
PubChem CID:	103087988
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	306.97971
ΔH_f, kcal/mol:	37.31
Dipole, Da:	5.2
IP(EA), eV:	-8.24(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CSCCCCNC1=CC2=C(C=C1)N=CC=C2

DOS

IR

Vibrations