Geometry & MOs

Info

ID:	349000
PubChem CID:	127274726
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	-171.17
Dipole, Da:	3.81
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations