Geometry & MOs

Info

ID:	11722
PubChem CID:	119728
Reduced:	O4C19H36 (1)
Stoich.:	A4B19C36 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-255.67
Dipole, Da:	2.82
IP(EA), eV:	-10.56(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-heptanoyloxy-2,2-dimethylpropyl) heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCC

DOS

IR

Vibrations