Geometry & MOs

Info

ID:	141879
PubChem CID:	52944411
Reduced:	O2F3N3H16C20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	864.575149
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	5.4
IP(EA), eV:	-9.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C(=O)[C@@](N=C1N)(C2=CC=C(C=C2)OC(F)F)C3=CC=CC(=C3)C#CCF

DOS

IR

Vibrations