Geometry & MOs

Info

ID:	294607
PubChem CID:	117473471
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-156.99
Dipole, Da:	2.22
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclopentyl)-3,4-dimethoxy-2-methylsulfanylbenzene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C2(CCCCC2)N)C(=O)OC

DOS

IR

Vibrations