Geometry & MOs

Info

ID:	198757
PubChem CID:	79145886
Reduced:	NCl2O2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	2.85
IP(EA), eV:	-9.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=CO2)CO

DOS

IR

Vibrations