Geometry & MOs

Info

ID:	158262
PubChem CID:	56463249
Reduced:	F3O4N5C22H26 (1)
Stoich.:	A3B4C5D22E26 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-166.09
Dipole, Da:	6.27
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-butoxy-3-methoxyphenyl)-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)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations