Geometry & MOs

Info

ID:	342495
PubChem CID:	127265650
Reduced:	FNO4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	3.6
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-fluorophenyl)prop-2-enylamino]pyridin-2-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=C3C(=CC=C2)OCCO3)F

DOS

IR

Vibrations