Geometry & MOs

Info

ID:	92417
PubChem CID:	49985949
Reduced:	O5N6C37H50 (1)
Stoich.:	A5B6C37D50 (1)
Weight, g/mol:	554.18925
ΔH_f, kcal/mol:	-224.11
Dipole, Da:	8.41
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)NC(=O)C(C)C

DOS

IR

Vibrations