Geometry & MOs

Info

ID:	248215
PubChem CID:	103079760
Reduced:	SN4O4C8H14 (1)
Stoich.:	AB4C4D8E14 (1)
Weight, g/mol:	267.133139
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	7.77
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations