Geometry & MOs

Info

ID:	154190
PubChem CID:	56313594
Reduced:	F3O3N4C24H31 (1)
Stoich.:	A3B3C4D24E31 (1)
Weight, g/mol:	471.181901
ΔH_f, kcal/mol:	-242.2
Dipole, Da:	5.38
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCC(C2)C3=NN=C4N3CCCCC4)OCC(F)(F)F

DOS

IR

Vibrations