Geometry & MOs

Info

ID:	372767
PubChem CID:	131304291
Reduced:	INO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	311.8739
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	6.24
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dibromo-2-(chloromethyl)-5-ethylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@](C2CC2)(C(=O)O)N)I

DOS

IR

Vibrations