Geometry & MOs

Info

ID:	158432
PubChem CID:	56463637
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	1.63
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)COC3=CC4=C(C=C3)OC5=C4CCCC5

DOS

IR

Vibrations