Geometry & MOs

Info

ID:	258133
PubChem CID:	103151372
Reduced:	F3N3O3C10H12 (1)
Stoich.:	A3B3C3D10E12 (1)
Weight, g/mol:	271.149619
ΔH_f, kcal/mol:	-261.63
Dipole, Da:	6.43
IP(EA), eV:	-9.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N=C1N)CCOCC(F)(F)F

DOS

IR

Vibrations