Geometry & MOs

Info

ID:	259483
PubChem CID:	103166542
Reduced:	BrOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	375.98604
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	2.26
IP(EA), eV:	-9.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=CC=CC=C2)Br

DOS

IR

Vibrations