Geometry & MOs

Info

ID:	324436
PubChem CID:	126677671
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	503.208116
ΔH_f, kcal/mol:	-197.36
Dipole, Da:	1.94
IP(EA), eV:	-10.29(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C1=O)O

DOS

IR

Vibrations