Geometry & MOs

Info

ID:	22282
PubChem CID:	596513
Reduced:	NO2F3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	271.082013
ΔH_f, kcal/mol:	-183.22
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6,6,6-trifluoro-1-(4-methoxyphenyl)hexa-1,4-dien-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)C=C(C(F)(F)F)N

DOS

IR

Vibrations