Geometry & MOs

Info

ID:	252824
PubChem CID:	103114367
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-19.7
Dipole, Da:	5.26
IP(EA), eV:	-10.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(4-methylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2CCC2)C(=O)OCC=C

DOS

IR

Vibrations