Geometry & MOs

Info

ID:	345563
PubChem CID:	127269863
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	3.32
IP(EA), eV:	-8.75(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC(C2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations