Geometry & MOs

Info

ID:	272589
PubChem CID:	103749364
Reduced:	FO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	297.112484
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	4.74
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[bis(2-amino-2-oxoethyl)amino]methyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC2=CC(=C(C=C2)C(=O)OC)F

DOS

IR

Vibrations