Geometry & MOs

Info

ID:	326140
PubChem CID:	126686706
Reduced:	O2F4N5H15C19 (1)
Stoich.:	A2B4C5D15E19 (1)
Weight, g/mol:	423.09768
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	9.63
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-6-[[5-(1,3-dimethylpyrazol-4-yl)-3-fluorothiophen-2-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C=C(N=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C(=NC=C4)OCC(F)(F)F)F

DOS

IR

Vibrations