Geometry & MOs

Info

ID:	371628
PubChem CID:	131269202
Reduced:	NF2O2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	297.96164
ΔH_f, kcal/mol:	-205.66
Dipole, Da:	0.7
IP(EA), eV:	-9.14(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[3-fluoro-2-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C1(CCNCC1)C(=O)OC)(F)F

DOS

IR

Vibrations