Geometry & MOs

Info

ID:	168447
PubChem CID:	74968780
Reduced:	O3C26H44 (1)
Stoich.:	A3B26C44 (1)
Weight, g/mol:	278.096323
ΔH_f, kcal/mol:	-184.89
Dipole, Da:	4.43
IP(EA), eV:	-8.87(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-(4-methoxyphenyl)-3-methyl-2-methylsulfanylimidazol-1-ium-4-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCCC(C1(C)C)C=CC=C2CC(CC(C2=C)O)O

DOS

IR

Vibrations