Geometry & MOs

Info

ID:	171781
PubChem CID:	75426345
Reduced:	FO2N6H9C15 (1)
Stoich.:	AB2C6D9E15 (1)
Weight, g/mol:	345.04882
ΔH_f, kcal/mol:	111.55
Dipole, Da:	7.11
IP(EA), eV:	-10.33(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-bromo-5-fluoroanilino)acetyl]amino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(N=N2)CC3=C(C=CC(=C3)F)C#N

DOS

IR

Vibrations