Geometry & MOs

Info

ID:	251709
PubChem CID:	103106213
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	311.114903
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	2.11
IP(EA), eV:	-10.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2CNC(=O)O2)C(=O)OCC

DOS

IR

Vibrations