Geometry & MOs

Info

ID:	426960
PubChem CID:	135154710
Reduced:	SO2N3F4H9C12 (1)
Stoich.:	AB2C3D4E9F12 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-198.68
Dipole, Da:	4.11
IP(EA), eV:	-9.92(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC(=CC=C1)OC(F)F)C(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations