Geometry & MOs

Info

ID:	397281
PubChem CID:	135029991
Reduced:	OCl2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	345.079953
ΔH_f, kcal/mol:	34.13
Dipole, Da:	1.43
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-[2-chloro-2-(4-chlorophenyl)propyl]triazole

Drug info:

PubChemData

Smile

CC(CN1C=C(N=N1)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations