Geometry & MOs

Info

ID:	251906
PubChem CID:	103107756
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	261.041942
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	4.83
IP(EA), eV:	-8.31(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC(=C(C(=C1)OC)O)OC

DOS

IR

Vibrations