Geometry & MOs

Info

ID:	198193
PubChem CID:	79064980
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	1.65
Dipole, Da:	3.86
IP(EA), eV:	-8.59(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C#C)N1CCCCC1

DOS

IR

Vibrations