Geometry & MOs

Info

ID:	319157
PubChem CID:	126655205
Reduced:	NO2C10H21 (1)
Stoich.:	AB2C10D21 (1)
Weight, g/mol:	430.155352
ΔH_f, kcal/mol:	-102.25
Dipole, Da:	3.78
IP(EA), eV:	-8.6(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[4-[3-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H]([C@](C1)(C)OC)OC

DOS

IR

Vibrations