Geometry & MOs

Info

ID:	68369
PubChem CID:	46508274
Reduced:	F3O3N4C19H19 (1)
Stoich.:	A3B3C4D19E19 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	9.02
IP(EA), eV:	-8.88(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC(=O)CC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C

DOS

IR

Vibrations