Geometry & MOs

Info

ID:	323454
PubChem CID:	126674874
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	2.01
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentyloxymethyl)-4-methylsulfanylbenzene

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/C1=CC(=C(N=C1)N)C(=O)N[C@H]2CCC[C@@H]2OCC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations