Geometry & MOs

Info

ID:	291995
PubChem CID:	114003850
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	305.98647
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	7.75
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)NC1=C(C=CC(=C1)C(=O)O)Br

DOS

IR

Vibrations