Geometry & MOs

Info

ID:	311974
PubChem CID:	126600148
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	439.091054
ΔH_f, kcal/mol:	38.23
Dipole, Da:	6.24
IP(EA), eV:	-10.69(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2R,5S)-5-[[4-[(E)-hydroxyiminomethyl]phenoxy]methyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

C=CCC(C#N)C(CC=C)(C#N)O

DOS

IR

Vibrations