Geometry & MOs

Info

ID:	173044
PubChem CID:	75588949
Reduced:	O2F3N3H12C16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-128.17
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-spiro[azepane-4,2'-chromene]-1-ylethyl)pyridazine-3,6-dione

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=O)C=CC=C2O)N(N1)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations