Geometry & MOs

Info

ID:	374115
PubChem CID:	131323852
Reduced:	ClOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	293.92138
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	4.75
IP(EA), eV:	-9.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-3-(chloromethyl)phenyl]-3-chloropropan-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC#N)OC(F)F)Cl)N

DOS

IR

Vibrations