Geometry & MOs

Info

ID:	106632
PubChem CID:	50171072
Reduced:	Cl2O3N4C29H36 (1)
Stoich.:	A2B3C4D29E36 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-132.76
Dipole, Da:	4.28
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations