Geometry & MOs

Info

ID:	362356
PubChem CID:	127307447
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	297.162332
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	5.2
IP(EA), eV:	-8.3(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCCC2C3=CN(N=C3)C)C

DOS

IR

Vibrations