Geometry & MOs

Info

ID:	91961
PubChem CID:	49980743
Reduced:	BrO3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	8.06
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations