Geometry & MOs

Info

ID:	398492
PubChem CID:	135033512
Reduced:	NO6C18H23 (1)
Stoich.:	AB6C18D23 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-236.33
Dipole, Da:	4.1
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylidene-6-propanoyloxyhex-3-enyl) benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1C=C[C@H]([C@@H]([C@@H]1C2=CC3=C(C=C2)OCO3)O)O

DOS

IR

Vibrations