Geometry & MOs

Info

ID:	264257
PubChem CID:	103446836
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-154.92
Dipole, Da:	3.82
IP(EA), eV:	-9.07(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-3-ethyl-3-hydroxypentan-2-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=C(C=CC=C1OC)OC)O

DOS

IR

Vibrations