Geometry & MOs

Info

ID:	199958
PubChem CID:	79323146
Reduced:	Br2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	4.4
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(bromomethyl)-3-methylbut-1-enyl]-1-chloro-2-nitrobenzene

Drug info:

PubChemData

Smile

CC(C)C(=CC1=CC2=C(C(=C1)Br)OCCCO2)CBr

DOS

IR

Vibrations