Geometry & MOs

Info

ID:	126482
PubChem CID:	50966295
Reduced:	N3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	102.28
Dipole, Da:	2.17
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)N2CCN(CC2)CC3=CC=CN3C4=CN=CC=C4)C

DOS

IR

Vibrations