Geometry & MOs

Info

ID:	266020
PubChem CID:	103557655
Reduced:	ClO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	362.02843
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	4.69
IP(EA), eV:	-8.56(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-4,5-dimethoxybenzene

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC3=C(C=C2)OCC3)Cl

DOS

IR

Vibrations