Geometry & MOs

Info

ID:	198092
PubChem CID:	79045528
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	4.28
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)CCC1=CSC=C1)N2CCCCC2

DOS

IR

Vibrations