Geometry & MOs

Info

ID:	405402
PubChem CID:	135073813
Reduced:	NO2F5H12C22 (1)
Stoich.:	AB2C5D12E22 (1)
Weight, g/mol:	298.175292
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	3.63
IP(EA), eV:	-9.26(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)-3-phenylprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=N/OC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)/C3=CC=CC=C3

DOS

IR

Vibrations