Geometry & MOs

Info

ID:	373249
PubChem CID:	131312237
Reduced:	Cl2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	289.97092
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	2.28
IP(EA), eV:	-9.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[4-(chloromethyl)-2-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C(=CC=C1)OC)CCl)Cl

DOS

IR

Vibrations