Geometry & MOs

Info

ID:	366008
PubChem CID:	127319313
Reduced:	SO2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	47.59
Dipole, Da:	10.01
IP(EA), eV:	-9.16(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C4=NC(=NO4)CN5C=CC=N5

DOS

IR

Vibrations