Geometry & MOs

Info

ID:	367285
PubChem CID:	127324062
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	3.09
IP(EA), eV:	-8.94(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C)NC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations