Geometry & MOs

Info

ID:	154302
PubChem CID:	56313715
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	406.149284
ΔH_f, kcal/mol:	11.59
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations