Geometry & MOs

Info

ID:	126937
PubChem CID:	50984669
Reduced:	FON6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	24.18
Dipole, Da:	4.67
IP(EA), eV:	-8.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC=C2F)NCC3=CC=CC=C3N4C=CN=C4

DOS

IR

Vibrations