Geometry & MOs

Info

ID:	431332
PubChem CID:	135171407
Reduced:	O4N5C26H31 (1)
Stoich.:	A4B5C26D31 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	2.59
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-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=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@H](C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations