Geometry & MOs

Info

ID:	391674
PubChem CID:	135008082
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	842.06248
ΔH_f, kcal/mol:	-122.23
Dipole, Da:	2.25
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(3-hexyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-1,3-benzoselenazol-2-ylidene)methyl]-3-(3-iodoanilino)cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCC(C2)(C(=O)OC)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations