Geometry & MOs

Info

ID:	405670
PubChem CID:	135074885
Reduced:	OC3H4 (7)
Stoich.:	AB3C4 (7)
Weight, g/mol:	331.103142
ΔH_f, kcal/mol:	-291.67
Dipole, Da:	1.62
IP(EA), eV:	-9.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(E)-3-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]prop-2-enyl] carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C\COC(=O)OC)(CC1=CC=C(C=C1)C)C(=O)OCC

DOS

IR

Vibrations