Geometry & MOs

Info

ID:	211303
PubChem CID:	80927483
Reduced:	BrN5H12C14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	278.092752
ΔH_f, kcal/mol:	101.43
Dipole, Da:	3.83
IP(EA), eV:	-8.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)NN)NC3=CC=CC=C3Br

DOS

IR

Vibrations