Geometry & MOs

Info

ID:	326136
PubChem CID:	126686686
Reduced:	FON2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	412.171082
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	3.72
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-2-methylpropoxy)-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC(COC1=NC=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)C4=CNN=C4)(F)F

DOS

IR

Vibrations