Geometry & MOs

Info

ID:	373029
PubChem CID:	131308794
Reduced:	NO3C7H11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	5.61
IP(EA), eV:	-10.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C[C@H]([C@H]1CCC(=O)C1)[N+](=O)[O-]

DOS

IR

Vibrations