Geometry & MOs

Info

ID:	419167
PubChem CID:	135107668
Reduced:	FN3O5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	271.102
ΔH_f, kcal/mol:	-189.69
Dipole, Da:	3.16
IP(EA), eV:	-9.46(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations