Geometry & MOs

Info

ID:	111557
PubChem CID:	50372538
Reduced:	Cl2O3N4C29H36 (1)
Stoich.:	A2B3C4D29E36 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-134.32
Dipole, Da:	5.85
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl)C

DOS

IR

Vibrations