Geometry & MOs

Info

ID:	153388
PubChem CID:	56312576
Reduced:	OF3N4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	416.128469
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	4.22
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCCCNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F)C

DOS

IR

Vibrations