Geometry & MOs

Info

ID:	294812
PubChem CID:	117497641
Reduced:	FNOC8H11 (2)
Stoich.:	ABCD8E11 (2)
Weight, g/mol:	311.99972
ΔH_f, kcal/mol:	-164.99
Dipole, Da:	5.36
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1CCN3CCNCC3)OCCO2)(F)F

DOS

IR

Vibrations