Geometry & MOs

Info

ID:	248287
PubChem CID:	103080287
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	267.169525
ΔH_f, kcal/mol:	46.51
Dipole, Da:	7.6
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-(1-methyl-4-nitropyrazol-3-yl)cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(CN)C2CC2)[N+](=O)[O-]

DOS

IR

Vibrations