Geometry & MOs

Info

ID:	374032
PubChem CID:	131322690
Reduced:	BrClFNOH2C6 (1)
Stoich.:	ABCDEF2G6 (1)
Weight, g/mol:	252.98507
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	2.94
IP(EA), eV:	-10.22(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2-methoxyphenyl)-2H-triazole

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)Cl)F)C=O)Br

DOS

IR

Vibrations