Geometry & MOs

Info

ID:	284530
PubChem CID:	104051628
Reduced:	BrO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	5.27
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)CC2CCCC2)C)Br

DOS

IR

Vibrations