Geometry & MOs

Info

ID:	294635
PubChem CID:	117475977
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-195.67
Dipole, Da:	6.01
IP(EA), eV:	-8.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclopentyl)-1-methoxy-4-methylsulfonylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(C(=O)O)O)OC)N2CCCCC2

DOS

IR

Vibrations