Geometry & MOs

Info

ID:	133511
PubChem CID:	51538344
Reduced:	FO3N4C26H34 (1)
Stoich.:	AB3C4D26E34 (1)
Weight, g/mol:	395.269853
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.876586
Charge, e:	1

Chem-info

IUPAC name:

(5R)-7-(2-methoxyethyl)-2-[(3-phenylmethoxyphenyl)methyl]-7-aza-2-azoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

C[NH+](C[C@@H]1CCC(=O)N1)CC2=CC(=CC=C2)OCCN3CCN(CC3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations