Geometry & MOs

Info

ID:	252731
PubChem CID:	103113635
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	4.94
IP(EA), eV:	-10.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-propyl-1-(pyridin-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations