Geometry & MOs

Info

ID:	154624
PubChem CID:	56314100
Reduced:	FN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	388.158706
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	2.78
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCN2C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations