Geometry & MOs

Info

ID:	257540
PubChem CID:	103146895
Reduced:	BrF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	300.108562
ΔH_f, kcal/mol:	-261.18
Dipole, Da:	8.0
IP(EA), eV:	-8.73(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylbenzimidazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)CCOCC(F)(F)F)Br

DOS

IR

Vibrations