Geometry & MOs

Info

ID:	251715
PubChem CID:	103106233
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	-113.98
Dipole, Da:	4.85
IP(EA), eV:	-10.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-chlorothiophen-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCC(C)O)C(=O)OCC

DOS

IR

Vibrations