Geometry & MOs

Info

ID:	404282
PubChem CID:	135065653
Reduced:	BrCl2O2F3H10C17 (1)
Stoich.:	AB2C2D3E10F17 (1)
Weight, g/mol:	306.086764
ΔH_f, kcal/mol:	-170.33
Dipole, Da:	3.11
IP(EA), eV:	-9.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-benzyl-3-(trifluoromethyl)oxiran-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2C(O2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations