Geometry & MOs

Info

ID:	228752
PubChem CID:	87565672
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	3.55
IP(EA), eV:	-10.31(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-bromopyridin-2-yl)triazol-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCCC(C)CN=C=O

DOS

IR

Vibrations