Geometry & MOs

Info

ID:	423046
PubChem CID:	135118837
Reduced:	ClO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	4.26
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[3-(3-fluorophenyl)propanoyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CC(=O)N4C=C(C=CC4=N3)Cl)OCC1

DOS

IR

Vibrations