Geometry & MOs

Info

ID:	403681
PubChem CID:	135061354
Reduced:	O5C24H30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	523.214138
ΔH_f, kcal/mol:	-180.94
Dipole, Da:	1.99
IP(EA), eV:	-8.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-2-[2-tri(propan-2-yl)silylethynyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=C(C1)/C=C/C2=CC=CC=C2OC(C)C)C=C)C(=O)OCC

DOS

IR

Vibrations