Geometry & MOs

Info

ID:	259434
PubChem CID:	103165721
Reduced:	BrC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	361.97039
ΔH_f, kcal/mol:	14.86
Dipole, Da:	2.45
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]benzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations