Geometry & MOs

Info

ID:	277638
PubChem CID:	103830030
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	6.15
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-hydroxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COCC1CCN(C1)C(=O)C2=C(C=C(C=C2)F)O

DOS

IR

Vibrations