Geometry & MOs

Info

ID:	362283
PubChem CID:	127307302
Reduced:	ON5C17H33 (1)
Stoich.:	AB5C17D33 (1)
Weight, g/mol:	367.294725
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	2.49
IP(EA), eV:	-8.42(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCN(CC2)CC3CC3)C

DOS

IR

Vibrations