Geometry & MOs

Info

ID:	390152
PubChem CID:	134997397
Reduced:	O7C27H38 (1)
Stoich.:	A7B27C38 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-282.06
Dipole, Da:	2.91
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-methyl-3-(2,4,6-trimethylphenyl)-3H-1,2,4-oxadiazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC(CC#CC1([C@H]([C@H](CO1)COCC2=CC=CC=C2)OC3CCCCO3)O)OC4CCCCO4

DOS

IR

Vibrations