Geometry & MOs

Info

ID:	248168
PubChem CID:	103079381
Reduced:	N4O5C10H10 (1)
Stoich.:	A4B5C10D10 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	10.72
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC=C(O2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations