Geometry & MOs

Info

ID:	125211
PubChem CID:	50915287
Reduced:	NO4C20H35 (1)
Stoich.:	AB4C20D35 (1)
Weight, g/mol:	257.137556
ΔH_f, kcal/mol:	-200.13
Dipole, Da:	6.34
IP(EA), eV:	-8.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl(trimethyl)azanium;5-methyl-4-oxidopyrazin-4-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)[O-].C[N+](C)(C)CCO

DOS

IR

Vibrations