Geometry & MOs

Info

ID:	252829
PubChem CID:	103114396
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	2.77
IP(EA), eV:	-10.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(2,6-dimethylphenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)NC(C)(C)C)C(=O)OCC=C

DOS

IR

Vibrations