Geometry & MOs

Info

ID:	23001
PubChem CID:	600749
Reduced:	N2O5H12C17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	324.074621
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	4.3
IP(EA), eV:	-9.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(3-methyl-2-oxo-1,3-benzoxazole-6-carbonyl)-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C(=O)O4)C)OC1=O

DOS

IR

Vibrations