Geometry & MOs

Info

ID:	407406
PubChem CID:	135080033
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	370.07797
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	4.65
IP(EA), eV:	-9.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(6-bromo-1-phenylmethoxyhexan-2-yl)oxyprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC/C=C/C=O

DOS

IR

Vibrations