Geometry & MOs

Info

ID:	138627
PubChem CID:	52398151
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	319.238553
ΔH_f, kcal/mol:	-130.62
Dipole, Da:	3.44
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[[(5S)-9-(cyclobutylmethyl)-2-aza-9-azoniaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1)C(=O)N2CCN([C@H](C2)CCO)CC3=CC=CO3

DOS

IR

Vibrations