Geometry & MOs

Info

ID:	347202
PubChem CID:	127271743
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	3.0
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCC3=CN4CCCCC4=N3

DOS

IR

Vibrations