Geometry & MOs

Info

ID:	28139
PubChem CID:	825802
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	228.97384
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	1.24
IP(EA), eV:	-9.04(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2,5-dimethyl-4-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C([C@@]2([C@]1(C3=CC=CC=C3[C@]2(C(=O)OC)O)C)C)C

DOS

IR

Vibrations