Geometry & MOs

Info

ID:	326143
PubChem CID:	126686721
Reduced:	O2F4N5H17C20 (1)
Stoich.:	A2B4C5D17E20 (1)
Weight, g/mol:	416.14601
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	6.32
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C(=NC=N4)OCC(F)(F)F)F

DOS

IR

Vibrations