Geometry & MOs

Info

ID:	319167
PubChem CID:	126655241
Reduced:	O2N7C26H33 (1)
Stoich.:	A2B7C26D33 (1)
Weight, g/mol:	496.17898
ΔH_f, kcal/mol:	2.07
Dipole, Da:	6.5
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](CC1)C2=NC3=C(C(=C2)N4C=NC(=N4)N5CCC6(CC5)CCOCC6)C(=O)NC3)C#N

DOS

IR

Vibrations