Geometry & MOs

Info

ID:	359830
PubChem CID:	127299874
Reduced:	FON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	4.27
Dipole, Da:	5.88
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C3=C(C=C(C=C3)C#N)F)C4=CC=CC=C4

DOS

IR

Vibrations