Geometry & MOs

Info

ID:	395510
PubChem CID:	135025678
Reduced:	SSiF3O3H31C44 (1)
Stoich.:	ABC3D3E31F44 (1)
Weight, g/mol:	325.27695
ΔH_f, kcal/mol:	-134.03
Dipole, Da:	3.23
IP(EA), eV:	-8.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1-phenylpent-1-yn-3-yl)-N-(2-methylpropyl)hept-2-en-1-amine

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CC2=CC3=C(C=C2C=C1OS(=O)(=O)C(F)(F)F)C(=C4C5=CC=CC6=C5C7=C(C=CC=C7C4=C3C8=CC=CC=C8)C=C6)C9=CC=CC=C9

DOS

IR

Vibrations