Geometry & MOs

Info

ID:	284503
PubChem CID:	104051593
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	298.05684
ΔH_f, kcal/mol:	-46.49
Dipole, Da:	2.99
IP(EA), eV:	-8.84(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)C2=C(C(=CC(=C2C)Br)C)OC

DOS

IR

Vibrations