Geometry & MOs

Info

ID:	426192
PubChem CID:	135142360
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-11.29
Dipole, Da:	3.06
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (E)-3-[3-amino-4-(ethylamino)-2-fluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CNCC2=C(O1)C=CC=N2

DOS

IR

Vibrations