Geometry & MOs

Info

ID:	16128
PubChem CID:	460089
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	-6.86
Dipole, Da:	6.35
IP(EA), eV:	-9.35(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-hexylpyridazino[3,4-b][1,5]benzoxazepin-5-one

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2OC3=NN=C(C=C3C1=O)Cl

DOS

IR

Vibrations