Geometry & MOs

Info

ID:	71608
PubChem CID:	48415104
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	55.48
Dipole, Da:	3.68
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations