Geometry & MOs

Info

ID:	179004
PubChem CID:	76417931
Reduced:	O3C21H22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	367.149183
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	3.1
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C=CC(=O)C=CC2=CC(=CC=C2)O

DOS

IR

Vibrations