Geometry & MOs

Info

ID:	282576
PubChem CID:	103931468
Reduced:	SN3O3C9H17 (1)
Stoich.:	AB3C3D9E17 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	4.76
IP(EA), eV:	-9.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNC(C)CS(=O)(=O)C

DOS

IR

Vibrations