Geometry & MOs

Info

ID:	248166
PubChem CID:	103079359
Reduced:	N2O2C5H7 (2)
Stoich.:	A2B2C5D7 (2)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-57.46
Dipole, Da:	6.29
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methyl-4-nitropyrazol-3-yl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCC(C2)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations