Geometry & MOs

Info

ID:	14254
PubChem CID:	407247
Reduced:	N2C26H47 (1)
Stoich.:	A2B26C47 (1)
Weight, g/mol:	387.373925
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.072700
Charge, e:	1

Chem-info

IUPAC name:

3-(1-hexadecyl-1-methylpyrrolidin-1-ium-2-yl)pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+]1(CCCC1C2=CN=CC=C2)C

DOS

IR

Vibrations