Geometry & MOs

Info

ID:	154931
PubChem CID:	56314481
Reduced:	N2F3O6C23H27 (1)
Stoich.:	A2B3C6D23E27 (1)
Weight, g/mol:	459.19582
ΔH_f, kcal/mol:	-344.87
Dipole, Da:	2.65
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC)OC

DOS

IR

Vibrations