Geometry & MOs

Info

ID:	354490
PubChem CID:	127287039
Reduced:	OSN3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	3.85
IP(EA), eV:	-8.6(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CN(C)C1CCCN(C1)C(=O)NC2CCSCC2

DOS

IR

Vibrations