Geometry & MOs

Info

ID:	223419
PubChem CID:	85335014
Reduced:	ClNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	339.0232
ΔH_f, kcal/mol:	-187.86
Dipole, Da:	8.65
IP(EA), eV:	-9.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-oxo-1-propan-2-yl-2,8b-dihydro-1H-cyclobuta[c]chromene-2a-carboxylic acid;bromide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)COC(=O)C2(CCC3C2C3C(=O)O)N)C.Cl

DOS

IR

Vibrations