Geometry & MOs

Info

ID:	18805
PubChem CID:	548500
Reduced:	Cl3N5C13H14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	345.031479
ΔH_f, kcal/mol:	81.32
Dipole, Da:	8.27
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-chloroethyl)-N-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C(=NN=N2)C=CN(CCCl)CCCl)Cl

DOS

IR

Vibrations