Geometry & MOs

Info

ID:	294355
PubChem CID:	117454219
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	282.065887
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	4.39
IP(EA), eV:	-8.81(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C2=NOC(=C2)N)Cl)OC)OC

DOS

IR

Vibrations