Geometry & MOs

Info

ID:	128952
PubChem CID:	51064127
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	3.39
IP(EA), eV:	-8.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(butan-2-ylamino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@H](CC(=O)O)N.Cl

DOS

IR

Vibrations