Geometry & MOs

Info

ID:	5089
PubChem CID:	12571
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-119.62
Dipole, Da:	1.64
IP(EA), eV:	-10.66(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)C

DOS

IR

Vibrations