Geometry & MOs

Info

ID:	389447
PubChem CID:	134992966
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-166.35
Dipole, Da:	4.78
IP(EA), eV:	-9.52(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3S)-2-methylnon-4-en-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1[C@@H](C2CCC1C2)CO

DOS

IR

Vibrations