Geometry & MOs

Info

ID:	373247
PubChem CID:	131312221
Reduced:	BFIO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	289.97092
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	4.1
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[2-(chloromethyl)-5-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)F)I

DOS

IR

Vibrations