Geometry & MOs

Info

ID:	207262
PubChem CID:	80367861
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	266.101505
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	8.96
IP(EA), eV:	-9.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)N2C[C@@H](C[C@@H]2C(=O)O)O

DOS

IR

Vibrations