Geometry & MOs

Info

ID:	136443
PubChem CID:	52044124
Reduced:	ClFO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	347.022832
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	6.54
IP(EA), eV:	-9.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl 1-(2-chlorophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)OCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations