Geometry & MOs

Info

ID:	248244
PubChem CID:	103079962
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	7.09
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2CCCCC2O)[N+](=O)[O-]

DOS

IR

Vibrations