Geometry & MOs

Info

ID:	251700
PubChem CID:	103106143
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	2.59
IP(EA), eV:	-10.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2CCOC2)C(=O)OCC

DOS

IR

Vibrations