Geometry & MOs

Info

ID:	251694
PubChem CID:	103106071
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	357.01466
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.6
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC=C(C=C2)O)C(=O)OCC

DOS

IR

Vibrations