Geometry & MOs

Info

ID:	205217
PubChem CID:	80070075
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	221.108565
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	0.37
IP(EA), eV:	-9.17(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxothian-4-yl)amino]butan-2-ol

Drug info:

PubChemData

Smile

CC(C(C)OC1=CC=CC=C1CNCCOC)O

DOS

IR

Vibrations