Geometry & MOs

Info

ID:	362310
PubChem CID:	127307339
Reduced:	SO2N5C17H33 (1)
Stoich.:	AB2C5D17E33 (1)
Weight, g/mol:	339.299811
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	3.68
IP(EA), eV:	-8.5(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2(CCSC2)N3CCOCC3)C

DOS

IR

Vibrations