Geometry & MOs

Info

ID:	45588
PubChem CID:	10515268
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	1.58
IP(EA), eV:	-9.59(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4E,6E,8E)-9-bromo-3-methylnona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

C/C(=C\C[C@@]1(C(=O)CCC=C1OC(=O)C)C)/Cl

DOS

IR

Vibrations