Geometry & MOs

Info

ID:	362628
PubChem CID:	127308896
Reduced:	OSN5C20H33 (1)
Stoich.:	ABC5D20E33 (1)
Weight, g/mol:	369.256232
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	3.55
IP(EA), eV:	-8.6(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NCC3(CCCC3)N4CCSCC4

DOS

IR

Vibrations