Geometry & MOs

Info

ID:	258136
PubChem CID:	103151400
Reduced:	OF3N3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	315.080631
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	5.34
IP(EA), eV:	-9.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NC3=C2CNC3)CCOCC(F)(F)F

DOS

IR

Vibrations