Geometry & MOs

Info

ID:	158433
PubChem CID:	56463638
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	443.152431
ΔH_f, kcal/mol:	97.16
Dipole, Da:	6.44
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-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)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations