Geometry & MOs

Info

ID:	248783
PubChem CID:	103084362
Reduced:	ClN2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	290.054608
ΔH_f, kcal/mol:	70.98
Dipole, Da:	4.69
IP(EA), eV:	-10.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations