Geometry & MOs

Info

ID:	258139
PubChem CID:	103151407
Reduced:	OF2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	275.124547
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	4.1
IP(EA), eV:	-9.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1C2=CN=C(N=C2CN1)CCOCC(F)F

DOS

IR

Vibrations