Geometry & MOs

Info

ID:	426926
PubChem CID:	135154566
Reduced:	PO5N7C25H38 (1)
Stoich.:	AB5C7D25E38 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-206.33
Dipole, Da:	6.96
IP(EA), eV:	-8.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]-(oxetan-2-yl)methanone

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations