Geometry & MOs

Info

ID:	3584
PubChem CID:	9820
Reduced:	OBr2N2C27H38 (1)
Stoich.:	AB2C2D27E38 (1)
Weight, g/mol:	566.13304
ΔH_f, kcal/mol:	42.77
Dipole, Da:	19.53
IP(EA), eV:	-7.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium;dibromide

Drug info:

PubChemData

Smile

C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C.[Br-].[Br-]

DOS

IR

Vibrations