Geometry & MOs

Info

ID:	375344
PubChem CID:	131500022
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	287.99166
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	2.97
IP(EA), eV:	-9.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)-6-ethylphenyl]-2-chloropropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=CC2=C1OC=C2Br

DOS

IR

Vibrations