Geometry & MOs

Info

ID:	449529
PubChem CID:	135299346
Reduced:	N2C13H28 (1)
Stoich.:	A2B13C28 (1)
Weight, g/mol:	543.350426
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	1.9
IP(EA), eV:	-8.45(2.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[7-[[1-(2-methylbutan-2-yl)piperidin-4-yl]amino]-7-oxoheptyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CCCCC(C)(C)N1CCC(CC1)NC

DOS

IR

Vibrations