Geometry & MOs

Info

ID:	158664
PubChem CID:	56464543
Reduced:	ClN3O4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	347.257277
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	4.95
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)/C=C/C3=CC(=C(C(=C3)Cl)OC)OC

DOS

IR

Vibrations