Geometry & MOs

Info

ID:	150906
PubChem CID:	53790603
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	466.111597
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	1.65
IP(EA), eV:	-8.44(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-prop-2-ynyl-N-[4-[[4-[prop-2-ynyl-(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=CCN1CCC23C(C1)CCCC2OC4=C3C=CC=C4O)C

DOS

IR

Vibrations