Geometry & MOs

Info

ID:	92506
PubChem CID:	49987451
Reduced:	N4O4C29H38 (1)
Stoich.:	A4B4C29D38 (1)
Weight, g/mol:	554.18925
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	9.14
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations