Geometry & MOs

Info

ID:	140588
PubChem CID:	52724763
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	299.212338
ΔH_f, kcal/mol:	19.24
Dipole, Da:	4.03
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-phenyl-1-(4-piperidin-1-ium-1-ylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)N(CC1=CN=CC=C1)C(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations