Geometry & MOs

Info

ID:	248789
PubChem CID:	103084433
Reduced:	ClON4C9H15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	267.052302
ΔH_f, kcal/mol:	0.91
Dipole, Da:	6.07
IP(EA), eV:	-10.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[(3-nitrophenyl)methyl]tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2CCCC2OC)Cl

DOS

IR

Vibrations