Geometry & MOs

Info

ID:	337019
PubChem CID:	127256584
Reduced:	NF3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	133.052764
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	2.67
IP(EA), eV:	-9.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E,7Z)-azonin-2-one

Drug info:

PubChemData

Smile

C\1=C/C=C\C(=O)N=C\C=C1.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations