Geometry & MOs

Info

ID:	32228
PubChem CID:	6436010
Reduced:	NO3C32H45 (1)
Stoich.:	AB3C32D45 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	4.05
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(7Z,11E)-hexadeca-7,11-dienyl] acetate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C=C\C=C\C=C(/C)\C(=O)N[C@@H](C)CO)O

DOS

IR

Vibrations