Geometry & MOs

Info

ID:	390677
PubChem CID:	135000339
Reduced:	NSeO2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	670.95634
ΔH_f, kcal/mol:	38.67
Dipole, Da:	1.19
IP(EA), eV:	-8.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[[5-[(E)-2-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]-1,3-selenazol-2-yl]diazenyl]aniline;iodide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=C[Se]2)C3=CC=C(C=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations