Geometry & MOs

Info

ID:	259269
PubChem CID:	103162363
Reduced:	ClSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	312.03611
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	3.52
IP(EA), eV:	-9.67(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations