Geometry & MOs

Info

ID:	326386
PubChem CID:	126687445
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	369.17625
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	3.19
IP(EA), eV:	-9.9(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[1-(4-hydroxyphenyl)sulfanylethyl]-5-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CC1CCC2=C(C(OC2(C1)O)O)C

DOS

IR

Vibrations