Geometry & MOs

Info

ID:	292856
PubChem CID:	117361133
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	243.066221
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	3.08
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminopropyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC)C(=O)CCN

DOS

IR

Vibrations