Geometry & MOs

Info

ID:	281964
PubChem CID:	103914608
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	4.02
IP(EA), eV:	-8.97(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylpyridin-3-yl)methyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC(CCCNC(C)C1=NC=CN1C)CO

DOS

IR

Vibrations