Geometry & MOs

Info

ID:	382932
PubChem CID:	134974374
Reduced:	O5C14H24 (1)
Stoich.:	A5B14C24 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-265.52
Dipole, Da:	1.7
IP(EA), eV:	-10.09(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-oxocyclohexa-2,5-dien-1-yl)acetate

Drug info:

PubChemData

Smile

CC1(OC[C@@]2(O1)CC[C@@H]3[C@H]([C@@H]2CO)OC(O3)(C)C)C

DOS

IR

Vibrations