Geometry & MOs

Info

ID:	250693
PubChem CID:	103098401
Reduced:	BrON2C3H4 (2)
Stoich.:	ABC2D3E4 (2)
Weight, g/mol:	353.915
ΔH_f, kcal/mol:	37.99
Dipole, Da:	6.75
IP(EA), eV:	-10.73(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[[1-(bromomethyl)cyclobutyl]methyl]-3-nitro-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(CN1C(=NC(=N1)[N+](=O)[O-])Br)CBr

DOS

IR

Vibrations