Geometry & MOs

Info

ID:	277059
PubChem CID:	103826539
Reduced:	BrClON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	327.97265
ΔH_f, kcal/mol:	11.84
Dipole, Da:	6.32
IP(EA), eV:	-9.45(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CN(C=N1)CCNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations