Geometry & MOs

Info

ID:	404643
PubChem CID:	135068399
Reduced:	FOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	-248.49
Dipole, Da:	4.21
IP(EA), eV:	-9.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(3,4-dihydro-1H-isoquinolin-2-yl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)C(F)(F)F)O)[C@@H](C2=CC=CO2)O

DOS

IR

Vibrations