Geometry & MOs

Info

ID:	444395
PubChem CID:	135262279
Reduced:	SO3N6C23H28 (1)
Stoich.:	AB3C6D23E28 (1)
Weight, g/mol:	204.040957
ΔH_f, kcal/mol:	-33.98
Dipole, Da:	3.04
IP(EA), eV:	-8.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,1,4-trifluoro-3-(fluoromethyl)but-2-ene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NSN=C2NC3=C(N=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations