Geometry & MOs

Info

ID:	258059
PubChem CID:	103150478
Reduced:	BrOF3N3C12H17 (1)
Stoich.:	ABC3D3E12F17 (1)
Weight, g/mol:	307.096618
ΔH_f, kcal/mol:	-200.24
Dipole, Da:	4.17
IP(EA), eV:	-9.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)CCOCC(F)(F)F)N)Br

DOS

IR

Vibrations