Geometry & MOs

Info

ID:	205637
PubChem CID:	80131025
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	3.09
IP(EA), eV:	-9.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(COC1)CNCC(C2=CC=C(C=C2)C(F)(F)F)O

DOS

IR

Vibrations