Geometry & MOs

Info

ID:	233200
PubChem CID:	87895531
Reduced:	N2C36H71 (1)
Stoich.:	A2B36C71 (1)
Weight, g/mol:	643.686926
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768983
Charge, e:	1

Chem-info

IUPAC name:

1-heptadecyl-3-nonyl-2-pentadecylimidazol-3-ium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1C=C[N+](=C1CCCCCCCC)CCCCCCCCC

DOS

IR

Vibrations