Geometry & MOs

Info

ID:	327166
PubChem CID:	126689135
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	377.941989
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	2.39
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)N1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CN=C(C=C4)OCCCN5CCC5

DOS

IR

Vibrations