Geometry & MOs

Info

ID:	15980
PubChem CID:	457160
Reduced:	OCl2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	359.059217
ΔH_f, kcal/mol:	53.71
Dipole, Da:	4.77
IP(EA), eV:	-9.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1Cl)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations