Geometry & MOs

Info

ID:	38779
PubChem CID:	8137915
Reduced:	ClO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-175.14
Dipole, Da:	4.69
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentylcarbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations