Geometry & MOs

Info

ID:	318331
PubChem CID:	126650529
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	3.9
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5S)-5-(hydroxymethyl)-4-(4-methoxyphenyl)-2-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1CCCO1)C2=NC=NC3=C2N=CN3C4CCCO4

DOS

IR

Vibrations