Geometry & MOs

Info

ID:	248807
PubChem CID:	103084561
Reduced:	ClN4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	256.054945
ΔH_f, kcal/mol:	26.54
Dipole, Da:	4.89
IP(EA), eV:	-10.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole

Drug info:

PubChemData

Smile

CC1CCC(CC1C)N2C(=NN=N2)C(C)Cl

DOS

IR

Vibrations