Geometry & MOs

Info

ID:	426859
PubChem CID:	135154187
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	5.93
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-6-(pyridin-4-ylmethyl)-5H-pyrrolo[3,4-b]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CN2C(=O)NN=C2N=C1N3CCC(CC3)OCC4CCCC4

DOS

IR

Vibrations