Geometry & MOs

Info

ID:	326346
PubChem CID:	126687370
Reduced:	N2F3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	-250.56
Dipole, Da:	5.65
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CN(C[C@@H]1C[C@@H](CC2=CC=C(C=C2)C(F)(F)F)O)CC(=O)C3=NC=C(C=C3)O

DOS

IR

Vibrations