Geometry & MOs

Info

ID:	380220
PubChem CID:	134970590
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	2.2
IP(EA), eV:	-9.48(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-5-ethyl-2,6-dimethylheptan-3-yl) acetate

Drug info:

PubChemData

Smile

C1=COC(=C1)[C@H](CC(C2=CC=CO2)O)O

DOS

IR

Vibrations