Geometry & MOs

Info

ID:	52250
PubChem CID:	12015058
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	228.00534
ΔH_f, kcal/mol:	-158.19
Dipole, Da:	4.11
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

Se-(2-methylphenyl) propaneselenoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CC2)(CO)COC(=O)C3=CC=CO3

DOS

IR

Vibrations