Geometry & MOs

Info

ID:	218757
PubChem CID:	85089924
Reduced:	SiO2C14H24 (2)
Stoich.:	AB2C14D24 (2)
Weight, g/mol:	505.05975
ΔH_f, kcal/mol:	-297.66
Dipole, Da:	3.0
IP(EA), eV:	-8.63(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-ethenyl-4-methoxy-2,2-dimethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-d]oxazin-6-yl)-4-iodo-5-methoxybenzoate

Drug info:

PubChemData

Smile

CC1CC(=O)C2C(C(C=CC2=C1)C)CCC3CC(C=C(O3)O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations