Geometry & MOs

Info

ID:	293485
PubChem CID:	117391737
Reduced:	FNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	255.109314
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	5.61
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-methylsulfanyl-4-(piperidin-2-ylmethyl)phenol

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1)SC2COC2)F)N

DOS

IR

Vibrations