Geometry & MOs

Info

ID:	324399
PubChem CID:	126677578
Reduced:	IN4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	325.01097
ΔH_f, kcal/mol:	53.44
Dipole, Da:	2.85
IP(EA), eV:	-9.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(5-iodopentyl)triazol-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1=C(N=NN1CCCI)CCCN

DOS

IR

Vibrations