Geometry & MOs

Info

ID:	226470
PubChem CID:	87457447
Reduced:	ClFeON2C12H23 (1)
Stoich.:	ABCD2E12F23 (1)
Weight, g/mol:	421.197712
ΔH_f, kcal/mol:	81.99
Dipole, Da:	23.57
IP(EA), eV:	-7.2(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[(12S)-1,16,16-trimethyl-6-[(2S)-oxolan-2-yl]-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-13-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCN1C=C[N+](=C1)C.O=[Fe].[Cl-]

DOS

IR

Vibrations