Geometry & MOs

Info

ID:	326379
PubChem CID:	126687430
Reduced:	O8C21H26 (1)
Stoich.:	A8B21C26 (1)
Weight, g/mol:	374.180584
ΔH_f, kcal/mol:	-308.34
Dipole, Da:	6.11
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C([C@@H]([C@@H](OCCO)OC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O)O)O)O

DOS

IR

Vibrations