Geometry & MOs

Info

ID:	298741
PubChem CID:	117655294
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	256.26404
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	8.0
IP(EA), eV:	-9.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1,3-dibutylpyrrolidin-1-ium-1-yl)butan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=CC(=C1)C2=NN=CC(=C2)OC

DOS

IR

Vibrations