Geometry & MOs

Info

ID:	383619
PubChem CID:	134975431
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	255.980837
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	4.05
IP(EA), eV:	-8.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-3-(2-oxopropyl)oxathiol-3-yl] perchlorate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2[C@H]3CCCC[C@@H]3O

DOS

IR

Vibrations