Geometry & MOs

Info

ID:	334055
PubChem CID:	127252607
Reduced:	N5O7C25H27 (1)
Stoich.:	A5B7C25D27 (1)
Weight, g/mol:	347.080347
ΔH_f, kcal/mol:	-177.28
Dipole, Da:	10.03
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)-3-pyridin-1-ium-4-ylpropanoic acid;dichloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)[C@@H](NC2=O)CCC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations