Geometry & MOs

Info

ID:	326310
PubChem CID:	126687310
Reduced:	OF2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	5.56
IP(EA), eV:	-8.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@H](C\2=C(CN=C/C2=C(\C)/N=CC(=C(N)N)F)N=CC1F)OC

DOS

IR

Vibrations