Geometry & MOs

Info

ID:	326375
PubChem CID:	126687423
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	357.266779
ΔH_f, kcal/mol:	-126.81
Dipole, Da:	4.77
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC(=O)C2=NC=C(C=C2)O)CO)CCCC3=CC=C(C=C3)F

DOS

IR

Vibrations