Geometry & MOs

Info

ID:	251670
PubChem CID:	103105829
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	213.111341
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	4.09
IP(EA), eV:	-10.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(3-hydroxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CCC(=O)NC2CC2)C(=O)OC

DOS

IR

Vibrations