Geometry & MOs

Info

ID:	93230
PubChem CID:	49992604
Reduced:	BrO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	538.271069
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	8.76
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations