Geometry & MOs

Info

ID:	1989
PubChem CID:	5511
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-41.11
Dipole, Da:	3.27
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2

DOS

IR

Vibrations