Geometry & MOs

Info

ID:	446983
PubChem CID:	135279303
Reduced:	NC5H10 (6)
Stoich.:	AB5C10 (6)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	3.24
IP(EA), eV:	-8.08(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(azetidin-1-yl)-2-methoxypyrimidin-4-yl]-6-(3-fluoropiperidin-4-yl)-5-methylindazole

Drug info:

PubChemData

Smile

CC(CCC(C)(C)CN1CC(C1)N2CCN(CC2)C(C)(C)C)N3CCN(CC3)C4CN(C4)C(C)(C)C

DOS

IR

Vibrations