Geometry & MOs

Info

ID:	422134
PubChem CID:	135117268
Reduced:	FNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	5.52
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2,7-dimethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=C(C=CC(=C3)F)O)C4=C1C=CS4

DOS

IR

Vibrations