Geometry & MOs

Info

ID:	380777
PubChem CID:	134971333
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	118.091954
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	4.38
IP(EA), eV:	-9.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-2-(hydroxymethyl)-4-tritiocyclopentan-1-ol

Drug info:

PubChemData

Smile

C1CC([C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O

DOS

IR

Vibrations