Geometry & MOs

Info

ID:	284534
PubChem CID:	104051634
Reduced:	BrO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	3.48
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations