Geometry & MOs

Info

ID:	326205
PubChem CID:	126687081
Reduced:	ClFON6C16H16 (1)
Stoich.:	ABCD6E16F16 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-5.61
Dipole, Da:	7.32
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](C(=O)NC1)NC2=C(C=NC(N2)C3=CNC4=C3C=C(C=N4)Cl)F

DOS

IR

Vibrations