Geometry & MOs

Info

ID:	29483
PubChem CID:	834131
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	323.081853
ΔH_f, kcal/mol:	49.53
Dipole, Da:	4.38
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)Br)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations