Geometry & MOs

Info

ID:	357631
PubChem CID:	127294304
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	8.72
Dipole, Da:	5.32
IP(EA), eV:	-8.71(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]urea

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations