Geometry & MOs

Info

ID:	326146
PubChem CID:	126686739
Reduced:	O2N4F5H19C22 (1)
Stoich.:	A2B4C5D19E22 (1)
Weight, g/mol:	416.14601
ΔH_f, kcal/mol:	-248.61
Dipole, Da:	5.82
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-2-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]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=CN(N=C4)CC(F)(F)F)(F)F

DOS

IR

Vibrations