Geometry & MOs

Info

ID:	320250
PubChem CID:	126658996
Reduced:	O2C27H52 (1)
Stoich.:	A2B27C52 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-195.8
Dipole, Da:	1.93
IP(EA), eV:	-9.51(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropanoyloxy)ethyl hexanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCC)C(=O)OC(CC)CC(C)/C=C\CC

DOS

IR

Vibrations