Geometry & MOs

Info

ID:	109767
PubChem CID:	50296462
Reduced:	F2O3N4C29H30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	544.26857
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	4.13
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations