Geometry & MOs

Info

ID:	375345
PubChem CID:	131500025
Reduced:	BrClOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	254.03063
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	3.92
IP(EA), eV:	-9.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(bromomethyl)-4-ethylphenyl]propan-2-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CBr)C(=O)C(C)Cl

DOS

IR

Vibrations