Geometry & MOs

Info

ID:	18196
PubChem CID:	538873
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	47.06
Dipole, Da:	6.16
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)-5-ethyl-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1NC(=O)C)N2C(=CC(=N2)C)C

DOS

IR

Vibrations