Geometry & MOs

Info

ID:	449249
PubChem CID:	135297161
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	263.96473
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	12.23
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-6,7-dimethyl-3-oxabicyclo[3.2.0]hept-1(5)-en-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CN2C(=CC1=O)C3=C(C=C(C(=C3)COC)O)[C@@H]4N2C5(CC4)CC5

DOS

IR

Vibrations