Geometry & MOs

Info

ID:	250747
PubChem CID:	103098799
Reduced:	BrCl2O3N4H5C10 (1)
Stoich.:	AB2C3D4E5F10 (1)
Weight, g/mol:	347.02292
ΔH_f, kcal/mol:	37.3
Dipole, Da:	5.12
IP(EA), eV:	-10.17(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)Cl)Cl

DOS

IR

Vibrations