Geometry & MOs

Info

ID:	131163
PubChem CID:	51167386
Reduced:	ClFN3O3C17H17 (1)
Stoich.:	ABC3D3E17F17 (1)
Weight, g/mol:	344.153621
ΔH_f, kcal/mol:	-58.72
Dipole, Da:	7.17
IP(EA), eV:	-9.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N(C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations