Geometry & MOs

Info

ID:	258909
PubChem CID:	103157399
Reduced:	NSO3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	4.07
IP(EA), eV:	-9.29(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(1,4-dioxan-2-ylmethylamino)propan-2-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCNCC(CC1CCCC1)O

DOS

IR

Vibrations