Geometry & MOs

Info

ID:	27515
PubChem CID:	821762
Reduced:	FON2Cl3C8H12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	316.04628
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	2.79
IP(EA), eV:	-9.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromophenyl)phenyl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H](C(Cl)(Cl)Cl)NC(=O)CF

DOS

IR

Vibrations