Geometry & MOs

Info

ID:	38801
PubChem CID:	8137946
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	5.37
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations