Geometry & MOs

Info

ID:	252751
PubChem CID:	103113842
Reduced:	ClO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	1.78
IP(EA), eV:	-9.6(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NC=C(N2C)Cl)C(=O)OC

DOS

IR

Vibrations