Geometry & MOs

Info

ID:	431282
PubChem CID:	135171353
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	0.64
Dipole, Da:	3.1
IP(EA), eV:	-9.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[1.1.1]pentanyl)-6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)C#N)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations