Geometry & MOs

Info

ID:	252781
PubChem CID:	103114095
Reduced:	O2N5C12H13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	30.64
Dipole, Da:	6.25
IP(EA), eV:	-10.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-(4-ethylcyclohexyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NC=CC=N2)C(=O)OCC=C

DOS

IR

Vibrations