Geometry & MOs

Info

ID:	254005
PubChem CID:	103122113
Reduced:	FON2C3H4 (2)
Stoich.:	ABC2D3E4 (2)
Weight, g/mol:	353.01235
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	4.0
IP(EA), eV:	-10.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(4-bromoanilino)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C(C1=C(N=NN1CC(F)F)C(=O)O)N

DOS

IR

Vibrations