Geometry & MOs

Info

ID:	446485
PubChem CID:	135275325
Reduced:	F2N2O3C27H28 (1)
Stoich.:	A2B2C3D27E28 (1)
Weight, g/mol:	545.195071
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	7.18
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E)-7-(naphthalen-1-ylmethyl)-1,3-bis[(4-nitrophenyl)methylidene]-7-azaspiro[3.5]nonan-2-one

Drug info:

PubChemData

Smile

CCCN1CC(C1)OC2=C(C=C(C=C2)N3[C@@H](COC4=C3C=CC(=C4)F)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations