Geometry & MOs

Info

ID:	253704
PubChem CID:	103120102
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	2.92
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methylsulfanylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)CO

DOS

IR

Vibrations