Geometry & MOs

Info

ID:	383972
PubChem CID:	134976092
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	254.05737
ΔH_f, kcal/mol:	-74.91
Dipole, Da:	1.91
IP(EA), eV:	-9.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-hept-2-en-2-yl]selanylbenzene

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@@H]1CCC(=CC2=O)C=O

DOS

IR

Vibrations