Geometry & MOs

Info

ID:	163373
PubChem CID:	57898862
Reduced:	ClO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	3.3
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-cyclohexyl-5-methylpyrazol-3-yl)oxyethyl]piperidine

Drug info:

PubChemData

Smile

C1C2=C3C(=CC(=C(C3=CC=C2)C4=NC(=NC(=N4)OC5=CC=C(C=C5)CO)N)Cl)CO1

DOS

IR

Vibrations