Geometry & MOs

Info

ID:	324356
PubChem CID:	126677495
Reduced:	FO2N6C26H29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	478.249252
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	1.98
IP(EA), eV:	-8.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-6-methylphenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C2=NC3=C(C(=C2)N4C=CC(=N4)N5CCC(CC5)N6CCOCC6)C(=O)NC3

DOS

IR

Vibrations