Geometry & MOs

Info

ID:	252804
PubChem CID:	103114272
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	4.94
IP(EA), eV:	-10.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(2-methoxypyridin-3-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2CC3CCC2C3)C(=O)OCC=C

DOS

IR

Vibrations