Geometry & MOs

Info

ID:	444283
PubChem CID:	135261955
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	172.034729
ΔH_f, kcal/mol:	-31.97
Dipole, Da:	2.68
IP(EA), eV:	-8.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,1,3-trifluoro-2-methylprop-1-ene

Drug info:

PubChemData

Smile

CC(=O)C1=NSN=C1N2CCN(CC2)C[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations