Geometry & MOs

Info

ID:	38793
PubChem CID:	8137933
Reduced:	FN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	359.983525
ΔH_f, kcal/mol:	-112.17
Dipole, Da:	3.25
IP(EA), eV:	-8.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations