Geometry & MOs

Info

ID:	388104
PubChem CID:	134988176
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	230.188195
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	1.94
IP(EA), eV:	-10.44(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2,4-dimethyl-4-propoxypentanoate

Drug info:

PubChemData

Smile

CCC(C)(C1CC1)C(=O)OC

DOS

IR

Vibrations