Geometry & MOs

Info

ID:	250806
PubChem CID:	103099206
Reduced:	BrO2N6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	340.02834
ΔH_f, kcal/mol:	54.11
Dipole, Da:	12.92
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-N-propylpyridin-2-amine

Drug info:

PubChemData

Smile

CCNC1=CC=CC(=N1)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations