Geometry & MOs

Info

ID:	46220
PubChem CID:	10523334
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	371.95264
ΔH_f, kcal/mol:	-179.92
Dipole, Da:	2.73
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole;iodide

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC[C@@]1([C@@H](CC2=C(O1)C=CC(=C2)C(=O)OC)O)C)/C)C

DOS

IR

Vibrations