Geometry & MOs

Info

ID:	444371
PubChem CID:	135262208
Reduced:	FN8C23H25 (1)
Stoich.:	AB8C23D25 (1)
Weight, g/mol:	253.984979
ΔH_f, kcal/mol:	93.99
Dipole, Da:	0.95
IP(EA), eV:	-8.94(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate

Drug info:

PubChemData

Smile

C1CC(CCC1N)NCC2=C3C(=NC(=NN3C=C2)C4=CC=CC=N4)NC5=C(C=NC=C5)F

DOS

IR

Vibrations