Geometry & MOs

Info

ID:	138478
PubChem CID:	52370860
Reduced:	FN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	299.177096
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.289467
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-fluoroanilino)-3-oxopropyl]-bis(2-methoxyethyl)azanium

Drug info:

PubChemData

Smile

C1C[C@H]([NH+](C1)CCC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations