Geometry & MOs

Info

ID:	248804
PubChem CID:	103084544
Reduced:	ClN4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	218.093439
ΔH_f, kcal/mol:	21.48
Dipole, Da:	6.03
IP(EA), eV:	-10.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-(4-methoxybutan-2-yl)tetrazole

Drug info:

PubChemData

Smile

CC1CCC(CC1)CCN2C(=NN=N2)C(C)Cl

DOS

IR

Vibrations