Geometry & MOs

Info

ID:	326364
PubChem CID:	126687396
Reduced:	NOF3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	379.251129
ΔH_f, kcal/mol:	-188.8
Dipole, Da:	3.18
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C[C@H]([C@H](C1)CO)CCCC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations