Geometry & MOs

Info

ID:	382949
PubChem CID:	134974397
Reduced:	BrO15C25H35 (1)
Stoich.:	AB15C25D35 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-694.08
Dipole, Da:	4.0
IP(EA), eV:	-10.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-4-tert-butyl-2-hydroxyiminocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Br)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations