Geometry & MOs

Info

ID:	248787
PubChem CID:	103084419
Reduced:	ClO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	258.04838
ΔH_f, kcal/mol:	78.88
Dipole, Da:	5.22
IP(EA), eV:	-10.92(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-chloroethyl)-1-[(2,4-difluorophenyl)methyl]tetrazole

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations