Geometry & MOs

Info

ID:	202017
PubChem CID:	79619284
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	7.15
IP(EA), eV:	-9.33(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzylpiperazin-1-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(CC(=O)C1)N2CCNC(=O)C2

DOS

IR

Vibrations