Geometry & MOs

Info

ID:	383005
PubChem CID:	134974488
Reduced:	SiN2O3C41H57 (1)
Stoich.:	AB2C3D41E57 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	2.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.933476
Charge, e:	0

Chem-info

IUPAC name:

(8E)-1-oxacyclohexadeca-4,8-dien-2-one

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C(C3CCCCC34N2C(CC4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)[NH+]7CCCCC7)C(=O)O1

DOS

IR

Vibrations