Geometry & MOs

Info

ID:	248142
PubChem CID:	103079244
Reduced:	N2O2C5H8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	10.37
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCCCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations