Geometry & MOs

Info

ID:	418048
PubChem CID:	135103434
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	3.13
IP(EA), eV:	-9.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-butylphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations