Geometry & MOs

Info

ID:	295124
PubChem CID:	117518100
Reduced:	BrSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	352.144137
ΔH_f, kcal/mol:	54.58
Dipole, Da:	3.82
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C(C=C2)C3CCSCC3)Br)N

DOS

IR

Vibrations