Geometry & MOs

Info

ID:	251705
PubChem CID:	103106163
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	5.0
IP(EA), eV:	-10.11(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(CC)(CC)O)C(=O)OCC

DOS

IR

Vibrations