Geometry & MOs

Info

ID:	211327
PubChem CID:	80931085
Reduced:	Br2O3N5H7C10 (1)
Stoich.:	A2B3C5D7E10 (1)
Weight, g/mol:	240.113487
ΔH_f, kcal/mol:	39.44
Dipole, Da:	7.47
IP(EA), eV:	-9.03(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

C1=CN=C(N=C1OC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)NN

DOS

IR

Vibrations