Geometry & MOs

Info

ID:	379612
PubChem CID:	134450565
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	370.169271
ΔH_f, kcal/mol:	-133.65
Dipole, Da:	0.96
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,6aR)-5-(2-fluoro-6-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2C[C@@H]3CN(C[C@@H]3C2)CC(C4=NC(=C(C=C4)O)F)O

DOS

IR

Vibrations