Geometry & MOs

Info

ID:	136447
PubChem CID:	52044455
Reduced:	O3N4H14C18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	343.072369
ΔH_f, kcal/mol:	26.78
Dipole, Da:	7.55
IP(EA), eV:	-9.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=C(N=N2)C(=O)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations