Geometry & MOs

Info

ID:	253950
PubChem CID:	103121785
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	193.09636
ΔH_f, kcal/mol:	82.58
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NOC(=N1)C2=NN(C3=CC=CC=C32)C)N

DOS

IR

Vibrations