Geometry & MOs

Info

ID:	326393
PubChem CID:	126687462
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	395.246044
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	3.62
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN1C[C@H]2CC(C[C@H]2C1)(C3=C(N=CC=C3)F)O)C4=NC=C(C=C4)O

DOS

IR

Vibrations