Geometry & MOs

Info

ID:	252800
PubChem CID:	103114242
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	5.66
IP(EA), eV:	-9.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC(=CC=C2)Cl)C(=O)OCC=C

DOS

IR

Vibrations