Geometry & MOs

Info

ID:	28652
PubChem CID:	828797
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-64.1
Dipole, Da:	4.45
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylpiperazin-1-yl)-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=N3)OC

DOS

IR

Vibrations