Geometry & MOs

Info

ID:	266023
PubChem CID:	103557785
Reduced:	BrO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	421.99152
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	4.49
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1-(2-methoxyethoxy)benzene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(CC3(CCC3)OC)Br

DOS

IR

Vibrations