Geometry & MOs

Info

ID:	397400
PubChem CID:	135030165
Reduced:	SiN5O9C51H57 (1)
Stoich.:	AB5C9D51E57 (1)
Weight, g/mol:	298.15445
ΔH_f, kcal/mol:	-234.09
Dipole, Da:	4.07
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(trifluoromethyl)benzene

Drug info:

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]([C@H](CN[C@@H](C[C@H]3[C@H]([C@@H]([C@H](O3)CN4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C(=O)OC)O)N=[N+]=[N-]

DOS

IR

Vibrations