Geometry & MOs

Info

ID:	431217
PubChem CID:	135171287
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	8.39
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(CCC4=O)C=C3

DOS

IR

Vibrations