Geometry & MOs

Info

ID:	81275
PubChem CID:	49854538
Reduced:	N2O5F6C25H26 (1)
Stoich.:	A2B5C6D25E26 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-504.89
Dipole, Da:	4.48
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-oxo-2-phenyl-3,5,6,7-tetrahydrocyclopenta[f]isoindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C=CC(=C2)OC)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations