Geometry & MOs

Info

ID:	380071
PubChem CID:	134964876
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	285.097663
ΔH_f, kcal/mol:	42.39
Dipole, Da:	5.66
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]amino]ethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=C)C2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations