Geometry & MOs

Info

ID:	326134
PubChem CID:	126686664
Reduced:	O2F5N5H20C22 (1)
Stoich.:	A2B5C5D20E22 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-242.42
Dipole, Da:	3.8
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(COC1=NC=NC2=C1C(=O)N(C2)CC3=CC=C(C=C3)C4=CN(N=C4)CC(F)(F)F)(F)F

DOS

IR

Vibrations