Geometry & MOs

Info

ID:	80420
PubChem CID:	49834374
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	314.112979
ΔH_f, kcal/mol:	138.94
Dipole, Da:	4.88
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(1S)-3-oxocyclopentyl]-2-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CNCC[C@H](C1=CC2=CC=CC=C2C=C1)N3N=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations