Geometry & MOs

Info

ID:	220788
PubChem CID:	85239857
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	1.96
IP(EA), eV:	-9.12(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-2-(3-methylphenyl)-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

CC(=NNC(=O)NC1=CC=CC=C1)C(=O)C(=O)OC

DOS

IR

Vibrations