Geometry & MOs

Info

ID:	179005
PubChem CID:	76419116
Reduced:	N5O6C15H21 (1)
Stoich.:	A5B6C15D21 (1)
Weight, g/mol:	338.133868
ΔH_f, kcal/mol:	-214.49
Dipole, Da:	2.8
IP(EA), eV:	-10.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=N1)CC2C(CC(O2)N3CC(C(=O)NC3=O)C)O

DOS

IR

Vibrations