Geometry & MOs

Info

ID:	251561
PubChem CID:	103104884
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	2.33
IP(EA), eV:	-10.34(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C(=C(N=N1)C(=O)OCC)C

DOS

IR

Vibrations