Geometry & MOs

Info

ID:	391124
PubChem CID:	135002961
Reduced:	NSeO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)N=C=[Se]

DOS

IR

Vibrations