Geometry & MOs

Info

ID:	2825
PubChem CID:	8661
Reduced:	S2N4O9C23H26 (1)
Stoich.:	A2B4C9D23E26 (1)
Weight, g/mol:	566.114121
ΔH_f, kcal/mol:	-269.62
Dipole, Da:	33.99
IP(EA), eV:	-9.07(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(1-methylquinolin-1-ium-6-yl)urea;methyl sulfate

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

DOS

IR

Vibrations