Geometry & MOs

Info

ID:	251455
PubChem CID:	103104053
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	280.122321
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	7.03
IP(EA), eV:	-9.07(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCOC1=CC=C(C=C1)/C=C/C(=O)O)CC(=O)N

DOS

IR

Vibrations