Geometry & MOs

Info

ID:	422035
PubChem CID:	135117048
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	3.2
IP(EA), eV:	-8.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-[2-(3-fluoro-4-methylphenyl)acetyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)Cl)N3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations