Geometry & MOs

Info

ID:	131103
PubChem CID:	51156522
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-182.69
Dipole, Da:	6.15
IP(EA), eV:	-8.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations