Geometry & MOs

Info

ID:	224711
PubChem CID:	85347002
Reduced:	CrNO7H17C21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	448.173332
ΔH_f, kcal/mol:	28.94
Dipole, Da:	4.45
IP(EA), eV:	-7.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-1-[2,4,6-tris(methoxymethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations