Geometry & MOs

Info

ID:	296979
PubChem CID:	117604111
Reduced:	NO3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	310.136908
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	3.71
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methylphenyl)-5-methyl-3-phenylcyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CC=C3C4=CC=CO4)C

DOS

IR

Vibrations