Geometry & MOs

Info

ID:	194736
PubChem CID:	78583390
Reduced:	BrFNO2H13C18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	5.23
IP(EA), eV:	-9.42(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)F)Br)C(=O)O2)C

DOS

IR

Vibrations