Geometry & MOs

Info

ID:	79701
PubChem CID:	49830029
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-97.16
Dipole, Da:	5.91
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5,8-dimethoxy-4-methyl-2-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]quinolin-1-ium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations