Geometry & MOs

Info

ID:	406048
PubChem CID:	135076340
Reduced:	BrNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	1.2
IP(EA), eV:	-9.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenoxy)-1-(4-methoxyphenyl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=C(C=C(C=C1)C(=O)OC)Br)C(=O)OC

DOS

IR

Vibrations