Geometry & MOs

Info

ID:	248147
PubChem CID:	103079280
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-76.26
Dipole, Da:	7.8
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C(=O)O)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations