Geometry & MOs

Info

ID:	177173
PubChem CID:	76143485
Reduced:	F3N5O6C21H24 (1)
Stoich.:	A3B5C6D21E24 (1)
Weight, g/mol:	284.102414
ΔH_f, kcal/mol:	-268.35
Dipole, Da:	8.85
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(trifluoromethyl)phenyl]ethenyl]but-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCC1OCC2=CC=C(C=C2)OC(F)(F)F)CC(=O)NC3CCOC4=NC(=CN34)[N+](=O)[O-]

DOS

IR

Vibrations