Geometry & MOs

Info

ID:	326334
PubChem CID:	126687348
Reduced:	FNOSC21H24 (1)
Stoich.:	ABCDE21F24 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	1.59
IP(EA), eV:	-8.53(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[4-hydroxy-3-(4-hydroxyphenyl)butan-2-yl]-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)F)CSC4=CC=C(C=C4)O

DOS

IR

Vibrations