Geometry & MOs

Info

ID:	17321
PubChem CID:	492879
Reduced:	ON2C29H38 (1)
Stoich.:	AB2C29D38 (1)
Weight, g/mol:	430.298414
ΔH_f, kcal/mol:	11.89
Dipole, Da:	3.56
IP(EA), eV:	-8.53(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S)-5-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]spiro[3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@H]3C([C@H](CN3O2)C4=CC=CC=C4)CN5CCC(CC5)C6=CC=CC=C6

DOS

IR

Vibrations