Geometry & MOs

Info

ID:	367536
PubChem CID:	127324904
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	5.39
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations