Geometry & MOs

Info

ID:	30862
PubChem CID:	842035
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	202.086804
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	2.19
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-methylquinolin-1-ium-8-yl) acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C([C@@H]1C2=C(N(N=C2C)C)C)C#N)N)C

DOS

IR

Vibrations