Geometry & MOs

Info

ID:	109887
PubChem CID:	50300657
Reduced:	Cl2O3N4C28H34 (1)
Stoich.:	A2B3C4D28E34 (1)
Weight, g/mol:	512.259897
ΔH_f, kcal/mol:	-126.43
Dipole, Da:	2.12
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)Cl)C

DOS

IR

Vibrations