Geometry & MOs

Info

ID:	359563
PubChem CID:	127298837
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	5.64
IP(EA), eV:	-8.45(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N4CCN(CC4)C5CCCC5

DOS

IR

Vibrations