Geometry & MOs

Info

ID:	189359
PubChem CID:	77844553
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	554.98275
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	6.86
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-[3,5-dibromo-4-[4-hydroxy-3-(4-methylpiperidine-1-carbonyl)phenoxy]phenyl]-2-hydroxyiminoacetamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC(=CC=C1)OCCCNC2=CC=NC3=CC=CC=C32

DOS

IR

Vibrations