Geometry & MOs

Info

ID:	248782
PubChem CID:	103084346
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	256.028252
ΔH_f, kcal/mol:	37.71
Dipole, Da:	8.35
IP(EA), eV:	-9.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[(4-chlorophenyl)methyl]tetrazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C(=NN=N2)C(C)Cl)OC

DOS

IR

Vibrations