Geometry & MOs

Info

ID:	372769
PubChem CID:	131304299
Reduced:	BrC3H3 (3)
Stoich.:	AB3C3 (3)
Weight, g/mol:	311.8739
ΔH_f, kcal/mol:	11.55
Dipole, Da:	1.83
IP(EA), eV:	-9.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibromo-2-(chloromethyl)-4-ethylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1CBr)Br)Br

DOS

IR

Vibrations