Geometry & MOs

Info

ID:	78502
PubChem CID:	49693396
Reduced:	ClFO2N3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	3.16
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-3-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations