Geometry & MOs

Info

ID:	358210
PubChem CID:	127295755
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	367.25834
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	3.62
IP(EA), eV:	-9.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations