Geometry & MOs

Info

ID:	326149
PubChem CID:	126686759
Reduced:	ClFON6C20H22 (1)
Stoich.:	ABCD6E20F22 (1)
Weight, g/mol:	310.058755
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	3.92
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCCC1NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations