Geometry & MOs

Info

ID:	405488
PubChem CID:	135074162
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	345.118793
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	4.8
IP(EA), eV:	-10.54(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(E)-3-[5-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]prop-2-enyl] carbonate

Drug info:

PubChemData

Smile

C#CCC[C@H]1CCCCC[C@@]1(C#C)C(=O)O

DOS

IR

Vibrations