Geometry & MOs

Info

ID:	404558
PubChem CID:	135066835
Reduced:	PO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-172.67
Dipole, Da:	3.13
IP(EA), eV:	-9.23(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxidoquinolin-1-ium-2-yl) 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCOP1(=O)C(C2=CC=CC=C2O1)C

DOS

IR

Vibrations