Geometry & MOs

Info

ID:	347203
PubChem CID:	127271744
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-80.56
Dipole, Da:	4.11
IP(EA), eV:	-9.3(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCC(C3)O

DOS

IR

Vibrations