Geometry & MOs

Info

ID:	276695
PubChem CID:	103824730
Reduced:	BrClNOH11C15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	313.957
ΔH_f, kcal/mol:	24.47
Dipole, Da:	4.75
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations