Geometry & MOs

Info

ID:	431202
PubChem CID:	135171272
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	36.06
Dipole, Da:	8.54
IP(EA), eV:	-9.17(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[1.1.1]pentanyl)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC=CC(=C3)C#N)C(=O)NC4CCC5=C(C4)C=CC=N5

DOS

IR

Vibrations