Geometry & MOs

Info

ID:	234323
PubChem CID:	92298179
Reduced:	N3O5H15C20 (1)
Stoich.:	A3B5C15D20 (1)
Weight, g/mol:	368.064451
ΔH_f, kcal/mol:	-72.03
Dipole, Da:	8.16
IP(EA), eV:	-9.1(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(/C#N)\C(=O)OC

DOS

IR

Vibrations