Geometry & MOs

Info

ID:	17836
PubChem CID:	523483
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-137.32
Dipole, Da:	1.88
IP(EA), eV:	-10.33(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methylbutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations