Geometry & MOs

Info

ID:	326308
PubChem CID:	126687307
Reduced:	FN4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	351.219829
ΔH_f, kcal/mol:	2.57
Dipole, Da:	1.62
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=N)/C=C/C1=NC=C(C(=N1)NC2CC3CCC(C2)CC3)F

DOS

IR

Vibrations