Geometry & MOs

Info

ID:	206108
PubChem CID:	80204444
Reduced:	FNSH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	297.154035
ΔH_f, kcal/mol:	2.58
Dipole, Da:	3.15
IP(EA), eV:	-8.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-(3,5-difluorophenyl)ethyl]piperidin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC2=CC3=C(C=C2)SC=C3)F

DOS

IR

Vibrations