Geometry & MOs

Info

ID:	362631
PubChem CID:	127308899
Reduced:	OSN6C19H30 (1)
Stoich.:	ABC6D19E30 (1)
Weight, g/mol:	351.209282
ΔH_f, kcal/mol:	10.38
Dipole, Da:	3.93
IP(EA), eV:	-8.52(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(2-pyrazol-1-ylethyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)N2CCN3C(=NN=C3C4CC4)C2)N5CCSCC5

DOS

IR

Vibrations