Geometry & MOs

Info

ID:	260942
PubChem CID:	103210437
Reduced:	BrClIO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	354.02783
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-3-(2,2-difluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=CC(=C(C=C2)I)Cl)O)C)Br

DOS

IR

Vibrations