Geometry & MOs

Info

ID:	202088
PubChem CID:	79627199
Reduced:	NOF3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	4.72
IP(EA), eV:	-8.91(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-(3-ethoxypiperidin-1-yl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CNC)COC1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations