Geometry & MOs

Info

ID:	284514
PubChem CID:	104051609
Reduced:	BrClO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	340.10379
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	3.57
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations