Geometry & MOs

Info

ID:	374033
PubChem CID:	131322698
Reduced:	BrON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	252.98507
ΔH_f, kcal/mol:	49.53
Dipole, Da:	2.8
IP(EA), eV:	-9.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-methoxyphenyl)-2H-triazole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C2=NNN=C2

DOS

IR

Vibrations