Geometry & MOs

Info

ID:	143792
PubChem CID:	53263919
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	-140.59
Dipole, Da:	4.36
IP(EA), eV:	-9.03(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NCCCCCC(=O)O

DOS

IR

Vibrations