Geometry & MOs

Info

ID:	371730
PubChem CID:	131271398
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	45.37
Dipole, Da:	2.09
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(2-methylpropyl)-1,1-dioxothiane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CCN)C1=CC=CC2=C1NN=C2

DOS

IR

Vibrations