Geometry & MOs

Info

ID:	326347
PubChem CID:	126687371
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	381.230394
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	1.98
IP(EA), eV:	-8.63(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC2(C[C@@H]3CN(C[C@@H]3C2)CCC4=CC=C(C=C4)O)O)C

DOS

IR

Vibrations