Geometry & MOs

Info

ID:	194734
PubChem CID:	78583308
Reduced:	NF2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	327.125929
ΔH_f, kcal/mol:	-213.58
Dipole, Da:	6.92
IP(EA), eV:	-9.16(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations