Geometry & MOs

Info

ID:	248243
PubChem CID:	103079952
Reduced:	O2N7C8H11 (1)
Stoich.:	A2B7C8D11 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	79.84
Dipole, Da:	6.0
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCC2=NC=NN2)[N+](=O)[O-]

DOS

IR

Vibrations