Geometry & MOs

Info

ID:	222490
PubChem CID:	85300912
Reduced:	MoO2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	88.97
Dipole, Da:	4.82
IP(EA), eV:	-8.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH][CH][CH]1.[Mo+2]

DOS

IR

Vibrations