Geometry & MOs

Info

ID:	422527
PubChem CID:	135117988
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	5.78
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-3-propyl-1-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=CC=C2CNC3=NC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations