Geometry & MOs

Info

ID:	163745
PubChem CID:	74270311
Reduced:	ClN5O5C20H28 (1)
Stoich.:	AB5C5D20E28 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-136.11
Dipole, Da:	6.36
IP(EA), eV:	-10.12(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]methyl]-1-(6-methylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CCCCCN(C1C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations