Geometry & MOs

Info

ID:	404642
PubChem CID:	135068394
Reduced:	FeNH19C25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	300.097329
ΔH_f, kcal/mol:	276.41
Dipole, Da:	1.65
IP(EA), eV:	-8.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S)-1-(furan-2-yl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=C[CH]C=C4.[Fe]

DOS

IR

Vibrations