Geometry & MOs

Info

ID:	422670
PubChem CID:	135118221
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	373.168936
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	4.16
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[(2-fluoro-6-methoxyphenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=C(C=C2)C(=O)N3CCOCC3)C4=CC=NN4

DOS

IR

Vibrations