Geometry & MOs

Info

ID:	216415
PubChem CID:	85086202
Reduced:	N2F3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	268.051778
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	5.73
IP(EA), eV:	-9.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dioxabicyclo[3.2.0]heptan-3-yl)-4a,7a-dihydrothieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C)C(=CC=CC#N)C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations