Geometry & MOs

Info

ID:	358550
PubChem CID:	127296146
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	383.253255
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	4.47
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations