Geometry & MOs

Info

ID:	248314
PubChem CID:	103080561
Reduced:	O2N5H7C9 (1)
Stoich.:	A2B5C7D9 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	106.6
Dipole, Da:	4.92
IP(EA), eV:	-9.63(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(1-methyl-4-nitropyrazol-3-yl)pentanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2C=CC=C2C#N)[N+](=O)[O-]

DOS

IR

Vibrations