Geometry & MOs

Info

ID:	402303
PubChem CID:	135055380
Reduced:	O2C25H40 (1)
Stoich.:	A2B25C40 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	1.54
IP(EA), eV:	-8.84(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R)-9-formyldodec-11-enyl] benzoate

Drug info:

PubChemData

Smile

CCCC/C=C/[C@H](CC)C(=O)OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C

DOS

IR

Vibrations