Geometry & MOs

Info

ID:	158474
PubChem CID:	56463769
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	21.5
Dipole, Da:	3.86
IP(EA), eV:	-8.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)C

DOS

IR

Vibrations