Geometry & MOs

Info

ID:	252765
PubChem CID:	103113955
Reduced:	O2N6C13H24 (1)
Stoich.:	A2B6C13D24 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-61.9
Dipole, Da:	4.8
IP(EA), eV:	-9.33(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NC(C)C(=O)N(C)CC)NC

DOS

IR

Vibrations