Geometry & MOs

Info

ID:	278287
PubChem CID:	103834612
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	290.166414
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	8.46
IP(EA), eV:	-9.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)S(=O)(=O)C2=CN(C=N2)C)O

DOS

IR

Vibrations