Geometry & MOs

Info

ID:	421217
PubChem CID:	135115606
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	5.76
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)N

DOS

IR

Vibrations