Geometry & MOs

Info

ID:	249147
PubChem CID:	103087227
Reduced:	SN2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	263.120467
ΔH_f, kcal/mol:	14.11
Dipole, Da:	0.94
IP(EA), eV:	-8.53(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CNCCCCSC)C1=CC=CC=C1

DOS

IR

Vibrations