Geometry & MOs

Info

ID:	248146
PubChem CID:	103079274
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	7.54
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(C2CCCCC2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations