Geometry & MOs

Info

ID:	252835
PubChem CID:	103114474
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	297.033876
ΔH_f, kcal/mol:	11.19
Dipole, Da:	3.82
IP(EA), eV:	-10.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCC2=CC=CC=N2)C(=O)OCC=C

DOS

IR

Vibrations