Geometry & MOs

Info

ID:	248810
PubChem CID:	103084602
Reduced:	ClN4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	246.070595
ΔH_f, kcal/mol:	19.78
Dipole, Da:	6.5
IP(EA), eV:	-10.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(thian-2-ylmethyl)tetrazole

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CN2C(=NN=N2)C(C)Cl

DOS

IR

Vibrations