Geometry & MOs

Info

ID:	334552
PubChem CID:	127253227
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	378.098249
ΔH_f, kcal/mol:	-152.56
Dipole, Da:	4.09
IP(EA), eV:	-8.3(0.09)
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-(4-oxochromen-3-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

COCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations