Geometry & MOs

Info

ID:	248771
PubChem CID:	103084250
Reduced:	ClN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	256.028252
ΔH_f, kcal/mol:	63.72
Dipole, Da:	6.97
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(3-chloro-2-methylphenyl)tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=C(C=C2)C(C)(C)C)Cl

DOS

IR

Vibrations