Geometry & MOs

Info

ID:	402298
PubChem CID:	135055375
Reduced:	NSiF3O3C19H28 (1)
Stoich.:	ABC3D3E19F28 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-308.73
Dipole, Da:	5.47
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclohexa-2,5-dien-1-yl-2-(4-methylphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H](C=C)N(C1=CC=C(C=C1)OC)C(=O)C(F)(F)F

DOS

IR

Vibrations