Geometry & MOs

Info

ID:	422439
PubChem CID:	135117833
Reduced:	O2N4C16H19 (2)
Stoich.:	A2B4C16D19 (2)
Weight, g/mol:	332.226392
ΔH_f, kcal/mol:	-47.09
Dipole, Da:	11.82
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CN4C5=CC=CC=C5N=C4C6CC6

DOS

IR

Vibrations