Geometry & MOs

Info

ID:	337268
PubChem CID:	127256950
Reduced:	OH20C27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	77.5
Dipole, Da:	3.2
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-1-[(3R)-3-[(2R)-piperidin-2-yl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations