Geometry & MOs

Info

ID:	194737
PubChem CID:	78583391
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	399.123736
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	3.71
IP(EA), eV:	-8.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)C)C)OC

DOS

IR

Vibrations