Geometry & MOs

Info

ID:	314283
PubChem CID:	126621147
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	408.052031
ΔH_f, kcal/mol:	53.14
Dipole, Da:	3.39
IP(EA), eV:	-9.24(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-5-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC1=CN=C(C(=C1CN=O)N=O)C

DOS

IR

Vibrations