Geometry & MOs

Info

ID:	297575
PubChem CID:	117622247
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	2.31
IP(EA), eV:	-9.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S)-1-(3-fluoro-2-methylphenyl)-3-(2-methylpyrazol-3-yl)cyclopent-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@]1(CCC(=O)C1)C2=CC=CC=C2

DOS

IR

Vibrations