Geometry & MOs

Info

ID:	73666
PubChem CID:	48419690
Reduced:	FON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	3.45
IP(EA), eV:	-8.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-(N-methylanilino)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC1=C(C(=CC=C1)F)C#N)N2CCC3=CC=CC=C32

DOS

IR

Vibrations