Geometry & MOs

Info

ID:	124844
PubChem CID:	50898777
Reduced:	N3O4C25H35 (1)
Stoich.:	A3B4C25D35 (1)
Weight, g/mol:	531.87786
ΔH_f, kcal/mol:	-162.52
Dipole, Da:	8.28
IP(EA), eV:	-8.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-(5-bromopyridin-2-yl)-2-(4-chlorophenyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)CCCCCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42

DOS

IR

Vibrations