Geometry & MOs

Info

ID:	186475
PubChem CID:	77438652
Reduced:	ON4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	414.234351
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	5.11
IP(EA), eV:	-9.18(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2,6-difluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-N-piperidin-3-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1CNC1(CC2=CN=CN2)C(=O)N

DOS

IR

Vibrations