Geometry & MOs

Info

ID:	202608
PubChem CID:	79698508
Reduced:	BrCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	212.060407
ΔH_f, kcal/mol:	-52.83
Dipole, Da:	2.8
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-methoxyphenyl)cyclobutan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)Br)O)Cl

DOS

IR

Vibrations