Geometry & MOs

Info

ID:	329462
PubChem CID:	126737068
Reduced:	O10C13H22 (1)
Stoich.:	A10B13C22 (1)
Weight, g/mol:	340.202502
ΔH_f, kcal/mol:	-446.97
Dipole, Da:	7.46
IP(EA), eV:	-10.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-[4-(1-methoxy-2-methylquinolin-1-ium-4-yl)piperazin-1-yl]pent-2-en-1-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)O.C(C(CO)(CO)CO)O.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations