Geometry & MOs

Info

ID:	408289
PubChem CID:	135081053
Reduced:	NO4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	256.185857
ΔH_f, kcal/mol:	-137.61
Dipole, Da:	1.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752705
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-triethylsilylhept-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]([C@H](C(=O)[O-])N)O

DOS

IR

Vibrations