Geometry & MOs

Info

ID:	39179
PubChem CID:	8139875
Reduced:	OF2N2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	327.170868
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	6.79
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations