Geometry & MOs

Info

ID:	401554
PubChem CID:	135051615
Reduced:	ClOSeH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	388.02138
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	3.22
IP(EA), eV:	-8.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-methylselanylphenyl)-1-oxoisochromene-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C([Se]2)C=CC(=C3)CCCC(=O)Cl

DOS

IR

Vibrations