Geometry & MOs

Info

ID:	352058
PubChem CID:	127283126
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	339.263425
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	3.76
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1-[(1-methylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations