Geometry & MOs

Info

ID:	356935
PubChem CID:	127292547
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	327.263425
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	3.14
IP(EA), eV:	-8.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(2-morpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)NC(C)CN3CCN(CC3)C

DOS

IR

Vibrations