Geometry & MOs

Info

ID:	293727
PubChem CID:	117397759
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	3.51
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1CCON)Cl)OCCCO2

DOS

IR

Vibrations