Geometry & MOs

Info

ID:	83793
PubChem CID:	49861433
Reduced:	NOC10H18 (2)
Stoich.:	ABC10D18 (2)
Weight, g/mol:	299.223372
ΔH_f, kcal/mol:	-109.29
Dipole, Da:	2.47
IP(EA), eV:	-8.91(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluoropiperidin-3-yl)-3-(tetrazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCCC(C2)C3C(ONC3O)C4CCNCC4

DOS

IR

Vibrations