Geometry & MOs

Info

ID:	342276
PubChem CID:	127265053
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	55.01
Dipole, Da:	8.43
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-fluoro-4-(3-oxopiperazin-1-yl)phenyl]methyl]-3,4,4-trimethylpent-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C=CC(=O)NC(C#N)C3CC3

DOS

IR

Vibrations