Geometry & MOs

Info

ID:	431494
PubChem CID:	135171575
Reduced:	BrIOF2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	311.99613
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	4.9
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-2,3-difluoro-4-methylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C2=C(C(=C(C=C2)I)F)F

DOS

IR

Vibrations