Geometry & MOs

Info

ID:	222390
PubChem CID:	85297343
Reduced:	OF3N3C22H40 (1)
Stoich.:	AB3C3D22E40 (1)
Weight, g/mol:	418.1238
ΔH_f, kcal/mol:	-234.68
Dipole, Da:	3.63
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCCCN(CCCCC=CCCC1)CCCNCCCNC(=O)C(F)(F)F

DOS

IR

Vibrations