Geometry & MOs

Info

ID:	411588
PubChem CID:	135084420
Reduced:	Cl2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	258.00556
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	2.99
IP(EA), eV:	-9.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-fluoro-3-methyl-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(=O)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations