Geometry & MOs

Info

ID:	147442
PubChem CID:	53787098
Reduced:	FNC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	2.09
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C(=C1)F)C=NN=CC2=CC=C(C=C2)C)F

DOS

IR

Vibrations