Geometry & MOs

Info

ID:	281771
PubChem CID:	103914343
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	4.59
IP(EA), eV:	-9.13(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(C)C1=NC=CN1C

DOS

IR

Vibrations