Geometry & MOs

Info

ID:	16581
PubChem CID:	473226
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	6.84
IP(EA), eV:	-8.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylimidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC(=C(C=C3)O)OC)C)C(C)C)O

DOS

IR

Vibrations