Geometry & MOs

Info

ID:	208125
PubChem CID:	80497552
Reduced:	O2N5H7C10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	310.9654
ΔH_f, kcal/mol:	71.11
Dipole, Da:	8.32
IP(EA), eV:	-9.02(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-nitrophenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=N/C(=C/3\C=NNN3)/N=C2C=C1C(=O)O

DOS

IR

Vibrations