Geometry & MOs

Info

ID:	317604
PubChem CID:	126644315
Reduced:	O2N5C31H39 (1)
Stoich.:	A2B5C31D39 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	1.67
IP(EA), eV:	-8.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R)-9-phenylmethoxy-1,4-dioxaspiro[4.4]nonan-8-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@H]3CCC[C@@H]3NC(=O)C4=C(N=CC=C4)N)N5CCN(CC5)C

DOS

IR

Vibrations