Geometry & MOs

Info

ID:	57867
PubChem CID:	24278042
Reduced:	SBr2N3O4H13C21 (1)
Stoich.:	AB2C3D4E13F21 (1)
Weight, g/mol:	306.99564
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	3.63
IP(EA), eV:	-10.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-5-cyclopropyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br)Br

DOS

IR

Vibrations