Geometry & MOs

Info

ID:	16918
PubChem CID:	479742
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	5.58
IP(EA), eV:	-9.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-6-propylpyridazino[3,4-b][1,5]benzoxazepin-5-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=CC(=C2)OC)OC3=C(C1=O)C=CN=N3

DOS

IR

Vibrations