Geometry & MOs

Info

ID:	443417
PubChem CID:	135258942
Reduced:	FN3O7C16H16 (1)
Stoich.:	AB3C7D16E16 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-285.76
Dipole, Da:	3.93
IP(EA), eV:	-9.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4Z)-4-(4-methyl-2-oxo-1,4-diazaspiro[4.5]decan-3-ylidene)pent-2-enal

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(=O)OCC2C(C(C(O2)N3C=NC(=C3O)C(=O)N)O)O

DOS

IR

Vibrations