Geometry & MOs

Info

ID:	258140
PubChem CID:	103151408
Reduced:	OF3N3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	305.098726
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	4.23
IP(EA), eV:	-9.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NC2=C1CNC2)CCOCC(F)(F)F

DOS

IR

Vibrations