Geometry & MOs

Info

ID:	448282
PubChem CID:	135289869
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	284.145555
ΔH_f, kcal/mol:	24.63
Dipole, Da:	6.02
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-fluorophenyl)ethyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

Drug info:

PubChemData

Smile

CC1CC12CN(CCC2C(=O)OC3(CC3)CC#N)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations