Geometry & MOs

Info

ID:	413334
PubChem CID:	135086282
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	298.148141
ΔH_f, kcal/mol:	39.54
Dipole, Da:	5.94
IP(EA), eV:	-10.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethenyl-3-fluoropyridin-4-yl)phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)Cl)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations