Geometry & MOs

Info

ID:	284510
PubChem CID:	104051602
Reduced:	FBr2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	4.92
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=CC(=C(C=C2)Br)F)C)Br

DOS

IR

Vibrations