Geometry & MOs

Info

ID:	259451
PubChem CID:	103165870
Reduced:	BrClON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	345.97548
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	1.41
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)C(CC3CCC3)Cl)Br)N(C1=O)C

DOS

IR

Vibrations