Geometry & MOs

Info

ID:	252709
PubChem CID:	103113472
Reduced:	BrFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	3.41
IP(EA), eV:	-10.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=C(C=C(C=C2)F)Br)C(=O)OC

DOS

IR

Vibrations