Geometry & MOs

Info

ID:	281093
PubChem CID:	103852926
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	329.01637
ΔH_f, kcal/mol:	23.45
Dipole, Da:	7.54
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)CC#N)Br

DOS

IR

Vibrations