Geometry & MOs

Info

ID:	336627
PubChem CID:	127255634
Reduced:	O4C27H44 (1)
Stoich.:	A4B27C44 (1)
Weight, g/mol:	702.99412
ΔH_f, kcal/mol:	-223.93
Dipole, Da:	4.23
IP(EA), eV:	-8.51(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[formyl-(1-methylquinolin-1-ium-3-yl)amino]pyridin-2-yl]-N-(1-methylquinolin-1-ium-3-yl)formamide;diiodide

Drug info:

PubChemData

Smile

C[C@H](CCC(C(C)(C)O)O)C1CCC\2C1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations