Geometry & MOs

Info

ID:	249202
PubChem CID:	103087687
Reduced:	NS2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	2.68
IP(EA), eV:	-8.3(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylsulfanylbutyl)-3-(tetrazol-1-yl)aniline

Drug info:

PubChemData

Smile

CSCCCCNC1=CC=CC=C1SC2CCCC2

DOS

IR

Vibrations