Geometry & MOs

Info

ID:	207265
PubChem CID:	80368064
Reduced:	ON6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	25.88
Dipole, Da:	6.24
IP(EA), eV:	-8.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C(=O)NCCCN3CCNCC3

DOS

IR

Vibrations