Geometry & MOs

Info

ID:	326213
PubChem CID:	126687173
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	403.14697
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.31
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2(CC1(CC3=CC=CC=C3)O)CN(C2)CC(CCO)C4=CC=C(C=C4)O

DOS

IR

Vibrations