Geometry & MOs

Info

ID:	56668
PubChem CID:	17505754
Reduced:	ClN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	457.217698
ΔH_f, kcal/mol:	8.58
Dipole, Da:	3.55
IP(EA), eV:	-8.49(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorobenzoyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2CCCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations