Geometry & MOs

Info

ID:	258142
PubChem CID:	103151420
Reduced:	OF2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	285.165269
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	5.81
IP(EA), eV:	-9.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2CCNCC2=NC(=N1)CCOCC(F)F

DOS

IR

Vibrations