Geometry & MOs

Info

ID:	161077
PubChem CID:	57390687
Reduced:	ClN4O6C32H33 (1)
Stoich.:	AB4C6D32E33 (1)
Weight, g/mol:	313.181976
ΔH_f, kcal/mol:	-168.47
Dipole, Da:	6.18
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(2-(18F)fluoranylethyl)-1,2,3,4-tetrahydrocarbazol-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

COC(=O)NCC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)[C@H]3CNCC(=O)N3C4=CC=C(C=C4)COC(=O)C5=CC=CC=C5

DOS

IR

Vibrations