Geometry & MOs

Info

ID:	194735
PubChem CID:	78583389
Reduced:	NO2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	373.01137
ΔH_f, kcal/mol:	12.4
Dipole, Da:	1.93
IP(EA), eV:	-8.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-4-fluorophenyl)methylidene]-2-(3,4-dimethylphenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=CC3=CC4=CC=CC=C4C=C3)C(=O)O2)C

DOS

IR

Vibrations