Geometry & MOs

Info

ID:	252818
PubChem CID:	103114348
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	5.01
IP(EA), eV:	-10.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations