Geometry & MOs

Info

ID:	393145
PubChem CID:	135019539
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	495.240959
ΔH_f, kcal/mol:	29.21
Dipole, Da:	1.35
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,8aS,8bS)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,8,8a,8b-hexahydro-1H-cyclopenta[a]pyrrolizin-7-one

Drug info:

PubChemData

Smile

CCC1CCCCN1C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations