Geometry & MOs

Info

ID:	38781
PubChem CID:	8137918
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	6.63
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=C(OC(=C3)C)C

DOS

IR

Vibrations