Geometry & MOs

Info

ID:	293729
PubChem CID:	117397808
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	1.99
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol

Drug info:

PubChemData

Smile

CC(CCN)C1=CC2=C(C(=C1OC)Cl)OCO2

DOS

IR

Vibrations