Geometry & MOs

Info

ID:	319175
PubChem CID:	126655265
Reduced:	FO2N7H22C24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	405.123718
ΔH_f, kcal/mol:	25.64
Dipole, Da:	3.97
IP(EA), eV:	-8.57(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[4-[1-[(4R)-4-hydroxyoxolan-3-yl]pyrazol-3-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCOC2[C@@H]1CN(C2)C3=NN(C=C3)C4=CC(=NC5=C4C(=O)NC5)C6=C(C=CC=C6F)C#N

DOS

IR

Vibrations