Geometry & MOs

Info

ID:	158434
PubChem CID:	56463639
Reduced:	ClFO2N5C22H23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	405.193153
ΔH_f, kcal/mol:	6.68
Dipole, Da:	4.29
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations