Geometry & MOs

Info

ID:	258137
PubChem CID:	103151402
Reduced:	ON3F6C11H11 (1)
Stoich.:	AB3C6D11E11 (1)
Weight, g/mol:	297.090053
ΔH_f, kcal/mol:	-320.13
Dipole, Da:	2.62
IP(EA), eV:	-10.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(CN1)N=C(N=C2C(F)(F)F)CCOCC(F)(F)F

DOS

IR

Vibrations