Geometry & MOs

Info

ID:	71448
PubChem CID:	48414897
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	3.49
IP(EA), eV:	-8.91(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(4-but-3-ynylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N1CCN(CC1)CCC#C

DOS

IR

Vibrations