Geometry & MOs

Info

ID:	30347
PubChem CID:	841175
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	4.52
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methylideneamino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NN=CC1=CC=CC=C1F)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations