Geometry & MOs

Info

ID:	358498
PubChem CID:	127296094
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	353.24269
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	5.88
IP(EA), eV:	-8.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(1-ethylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NC(C3CC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations