Geometry & MOs

Info

ID:	57874
PubChem CID:	24278119
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	332.9749
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	6.37
IP(EA), eV:	-10.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)O

DOS

IR

Vibrations