Geometry & MOs

Info

ID:	380020
PubChem CID:	134964492
Reduced:	NC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	32.41
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757846
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-6a-[(E)-3-phenylprop-2-enyl]-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrole

Drug info:

PubChemData

Smile

C1C[C@@H]2CC[NH2+][C@@]2(C1)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations