Geometry & MOs

Info

ID:	154515
PubChem CID:	56313972
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	439.169605
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	5.46
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations