Geometry & MOs

Info

ID:	258135
PubChem CID:	103151396
Reduced:	OF2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	287.124547
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	3.85
IP(EA), eV:	-9.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NC3=C2CNCC3)CCOCC(F)F

DOS

IR

Vibrations