Geometry & MOs

Info

ID:	386602
PubChem CID:	134982282
Reduced:	SiO9C38H70 (1)
Stoich.:	AB9C38D70 (1)
Weight, g/mol:	336.136159
ΔH_f, kcal/mol:	-524.44
Dipole, Da:	2.27
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-3-(2-benzhydryl-4-oxooxetan-3-ylidene)propyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@H](C)C[C@@H]([C@H](/C=C\CC[C@@H](C)C1(OCCO1)CC[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C)OCOC)/C

DOS

IR

Vibrations