Geometry & MOs

Info

ID:	365984
PubChem CID:	127319274
Reduced:	OSN6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	90.48
Dipole, Da:	4.9
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations