Geometry & MOs

Info

ID:	252716
PubChem CID:	103113547
Reduced:	ON3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	5.04
IP(EA), eV:	-9.18(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1,1-dioxothiolan-3-yl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(=NC(C)C(=O)N(C)CC)N

DOS

IR

Vibrations