Geometry & MOs

Info

ID:	341235
PubChem CID:	127263670
Reduced:	BrOSN2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	324.019668
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	3.72
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-one

Drug info:

PubChemData

Smile

C1C2=C(NC(=O)CS1)N=CC(=C2)Br

DOS

IR

Vibrations