Geometry & MOs

Info

ID:	153862
PubChem CID:	56313192
Reduced:	ClFO3N4H24C26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	3.27
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations