Geometry & MOs

Info

ID:	434468
PubChem CID:	135175011
Reduced:	N3O3H19C23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	12.97
Dipole, Da:	5.77
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.1.1]hexanyl)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC2=C(C1=O)C(=C(C=C2)CN3CC4=C(C3=O)C=CC(=C4)C#CCOC)C#N

DOS

IR

Vibrations