Geometry & MOs

Info

ID:	248061
PubChem CID:	103078607
Reduced:	ClN5H10C11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	93.96
Dipole, Da:	6.19
IP(EA), eV:	-8.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=C(C=CC(=C2)Cl)C#N)N

DOS

IR

Vibrations