Geometry & MOs

Info

ID:	391661
PubChem CID:	135007981
Reduced:	SeN2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	385.08191
ΔH_f, kcal/mol:	17.31
Dipole, Da:	3.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756599
Charge, e:	1

Chem-info

IUPAC name:

N-phenyl-N-[(E)-2-(3-propyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]acetamide

Drug info:

PubChemData

Smile

CCCCN=C(NC(C)(C)C)[Se]

DOS

IR

Vibrations