Geometry & MOs

Info

ID:	231023
PubChem CID:	87572475
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	181.170474
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	8.02
IP(EA), eV:	-9.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-butan-2-yl-3-(2-methylpropyl)imidazol-3-ium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C[C@@H](C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations