Geometry & MOs

Info

ID:	165640
PubChem CID:	74579588
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	355.202168
ΔH_f, kcal/mol:	12.09
Dipole, Da:	4.68
IP(EA), eV:	-8.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN2CC(C1CC2CNC(=O)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations