Geometry & MOs

Info

ID:	215894
PubChem CID:	85085401
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	186.16198
ΔH_f, kcal/mol:	-153.33
Dipole, Da:	2.67
IP(EA), eV:	-10.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,3,4,4-tetramethylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(C)CCO)C

DOS

IR

Vibrations