Geometry & MOs

Info

ID:	264670
PubChem CID:	103481469
Reduced:	BrClFON3H10C13 (1)
Stoich.:	ABCDE3F10G13 (1)
Weight, g/mol:	318.92787
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	3.92
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-chlorophenyl)-4-(1-chloroethyl)triazole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)NN)C(=O)NC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations