Geometry & MOs

Info

ID:	342283
PubChem CID:	127265060
Reduced:	FN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	4.64
IP(EA), eV:	-9.42(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-1-methylpiperidin-4-yl)-3-(4-fluorophenyl)-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)NC2(CCCC2)C(=O)NC

DOS

IR

Vibrations