Geometry & MOs

Info

ID:	162200
PubChem CID:	57393924
Reduced:	ClON2C20H22 (2)
Stoich.:	ABC2D20E22 (2)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	8.84
IP(EA), eV:	-8.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-hydroxy-4-oxobut-2-enoate;3'-methoxyspiro[1-azoniabicyclo[2.2.1]heptane-3,5'-4H-1,2-oxazole]

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=C(C=C4)N=C(C5=CC=C(C=C5)C(C)(C)C)N)N.Cl.Cl

DOS

IR

Vibrations