Geometry & MOs

Info

ID:	402081
PubChem CID:	135054208
Reduced:	SiCl3N3O3C27H44 (1)
Stoich.:	AB3C3D3E27F44 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	2.29
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[4-[(E)-but-1-enyl]oxolan-3-ylidene]-1-phenylethanone

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C=C([C@@H](N(N1C2=CC=CC=N2)C(=O)OCC(Cl)(Cl)Cl)C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations