Geometry & MOs

Info

ID:	251717
PubChem CID:	103106247
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	352.05349
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	5.95
IP(EA), eV:	-10.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-bromopyridin-3-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NOC(=N2)C)C(=O)OCC

DOS

IR

Vibrations