Geometry & MOs

Info

ID:	258918
PubChem CID:	103157416
Reduced:	NSO5C8H15 (1)
Stoich.:	ABC5D8E15 (1)
Weight, g/mol:	296.282764
ΔH_f, kcal/mol:	-218.62
Dipole, Da:	2.92
IP(EA), eV:	-9.64(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CN1CCCS1(=O)=O

DOS

IR

Vibrations