Geometry & MOs

Info

ID:	326195
PubChem CID:	126687054
Reduced:	ClFOSN6C24H24 (1)
Stoich.:	ABCDE6F24G24 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	20.13
Dipole, Da:	2.48
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(3aS,6aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SN2CCCC(C2)CNC3=NC(=NC=C3F)C4=CNC5=C4C=C(C=N5)Cl

DOS

IR

Vibrations