Geometry & MOs

Info

ID:	437303
PubChem CID:	135222223
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	298.05684
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	5.2
IP(EA), eV:	-9.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-[(3-methylphenyl)methoxy]hexan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COCCCCC(=O)CBr)C#N

DOS

IR

Vibrations