Geometry & MOs

Info

ID:	423404
PubChem CID:	135119439
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-43.24
Dipole, Da:	3.74
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(4-phenylbutyl)-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations