Geometry & MOs

Info

ID:	253743
PubChem CID:	103120354
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	281.128803
ΔH_f, kcal/mol:	-22.54
Dipole, Da:	4.41
IP(EA), eV:	-9.46(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)C2=C3C=NC=CN3N=C2)CO

DOS

IR

Vibrations