Geometry & MOs

Info

ID:	283800
PubChem CID:	104008499
Reduced:	F2N2O2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-150.15
Dipole, Da:	4.24
IP(EA), eV:	-9.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2=CC=C(C=C2)OC(F)F)C#N

DOS

IR

Vibrations