Geometry & MOs

Info

ID:	221020
PubChem CID:	85248229
Reduced:	NSiO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	260.066029
ΔH_f, kcal/mol:	7.5
Dipole, Da:	3.8
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-3-enoate

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC=CC#CCN1C(CC1=O)C=O

DOS

IR

Vibrations