Geometry & MOs

Info

ID:	426937
PubChem CID:	135154629
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	4.79
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(4-phenoxypiperidin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)CN

DOS

IR

Vibrations