Geometry & MOs

Info

ID:	252736
PubChem CID:	103113658
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	3.86
Dipole, Da:	2.38
IP(EA), eV:	-10.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-hydroxypropyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NON=C2C)C(=O)OC

DOS

IR

Vibrations