Geometry & MOs

Info

ID:	383131
PubChem CID:	134974690
Reduced:	OC6H6 (6)
Stoich.:	AB6C6 (6)
Weight, g/mol:	255.12907
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	2.6
IP(EA), eV:	-8.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[6-(trimethylsilylmethyl)-5,6-dihydro-4H-oxazin-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1COCCOCCOC2=CC3=C(C4=CC=CC=C4C(=C3C=C2OCCOCCO1)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations