Geometry & MOs

Info

ID:	297770
PubChem CID:	117629976
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	636.12862
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	5.79
IP(EA), eV:	-9.71(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(1E,3E)-4-[1-[[4-(dimethylamino)phenyl]methyl]pyridin-1-ium-4-yl]buta-1,3-dienyl]pyridin-1-ium-1-yl]methyl]-N,N-dimethylaniline;dibromide

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(CN1C(=O)O)OC2=C3C(=CC(=N2)C#N)C=CC=N3

DOS

IR

Vibrations