Geometry & MOs

Info

ID:	318306
PubChem CID:	126650406
Reduced:	N3F4O4H11C17 (1)
Stoich.:	A3B4C4D11E17 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	-263.21
Dipole, Da:	6.2
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonyl-4-(4-methoxyphenyl)-2-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=NN2)OCC3=C(C=C(C=C3)C(=O)O)F)OC(F)(F)F

DOS

IR

Vibrations