Geometry & MOs

Info

ID:	258141
PubChem CID:	103151414
Reduced:	F3N3O3C12H14 (1)
Stoich.:	A3B3C3D12E14 (1)
Weight, g/mol:	257.133969
ΔH_f, kcal/mol:	-241.01
Dipole, Da:	3.35
IP(EA), eV:	-9.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=NC2=C1CNC2)CCOCC(F)(F)F

DOS

IR

Vibrations