Geometry & MOs

Info

ID:	144098
PubChem CID:	53311554
Reduced:	N2O8H28C29 (1)
Stoich.:	A2B8C28D29 (1)
Weight, g/mol:	456.168522
ΔH_f, kcal/mol:	-199.84
Dipole, Da:	4.3
IP(EA), eV:	-8.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-(4-methylphenyl)-1-phenylimidazol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)N2C(=CN(C2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations