Geometry & MOs

Info

ID:	14318
PubChem CID:	409113
Reduced:	ON2C29H51 (1)
Stoich.:	AB2C29D51 (1)
Weight, g/mol:	443.400139
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125410
Charge, e:	1

Chem-info

IUPAC name:

2-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2

DOS

IR

Vibrations