Geometry & MOs

Info

ID:	403507
PubChem CID:	135060616
Reduced:	SeN3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	248.06794
ΔH_f, kcal/mol:	238.64
Dipole, Da:	15.02
IP(EA), eV:	-6.82(-3.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-2-(2-methylselanylpropan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)/C=N/N=C(/N)\[Se])/C=N/N=C(/N)\[Se]

DOS

IR

Vibrations