Geometry & MOs

Info

ID:	222298
PubChem CID:	85296417
Reduced:	O8C15H24 (1)
Stoich.:	A8B15C24 (1)
Weight, g/mol:	331.98955
ΔH_f, kcal/mol:	-377.18
Dipole, Da:	1.42
IP(EA), eV:	-10.25(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyloxy-7-bromo-5-methoxy-2-oxobicyclo[4.1.0]hept-3-ene-7-carboxylate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)(C(=O)OC)C2(CCC(O2)(C)O)C)C(=O)OC)C

DOS

IR

Vibrations