Geometry & MOs

Info

ID:	283505
PubChem CID:	103986339
Reduced:	BrO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	4.32
IP(EA), eV:	-9.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-yl)-3-(2,4,6-trimethylphenyl)propan-2-one

Drug info:

PubChemData

Smile

C1COCC1CC(=O)CC2=CC=CC=C2Br

DOS

IR

Vibrations