Geometry & MOs

Info

ID:	251071
PubChem CID:	103101261
Reduced:	OF2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	296.164854
ΔH_f, kcal/mol:	-114.56
Dipole, Da:	4.93
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-fluorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C=C1F)CN)F

DOS

IR

Vibrations