Geometry & MOs

Info

ID:	53588
PubChem CID:	14716809
Reduced:	CH (30)
Stoich.:	AB (30)
Weight, g/mol:	326.179442
ΔH_f, kcal/mol:	128.09
Dipole, Da:	0.74
IP(EA), eV:	-8.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(3-fluorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)CCCC

DOS

IR

Vibrations