Geometry & MOs

Info

ID:	435337
PubChem CID:	135191241
Reduced:	ON7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	249.233074
ΔH_f, kcal/mol:	59.24
Dipole, Da:	4.48
IP(EA), eV:	-7.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[3-(butylamino)propyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)CN3C4=NC(=NC(=C4NC3=O)N)C5=CCC=CN5

DOS

IR

Vibrations