Geometry & MOs

Info

ID:	284515
PubChem CID:	104051610
Reduced:	BrO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	351.98657
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	2.37
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)C1=C(C(=CC(=C1C)Br)C)OC

DOS

IR

Vibrations