Geometry & MOs

Info

ID:	206587
PubChem CID:	80269541
Reduced:	BrClO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	451.91729
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	3.53
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dibromo-2-[bromo-[1-(2-methylpropyl)cyclopentyl]methyl]benzene

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(C2=CC3=C(C=C2Br)OCCO3)Cl

DOS

IR

Vibrations