Geometry & MOs

Info

ID:	295075
PubChem CID:	117515371
Reduced:	BrN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	340.03102
ΔH_f, kcal/mol:	-108.33
Dipole, Da:	8.57
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2=CC(=NN2C)C(=O)O)Br)O)OC

DOS

IR

Vibrations