Geometry & MOs

Info

ID:	26250
PubChem CID:	642256
Reduced:	O3C6H10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	3.42
IP(EA), eV:	-10.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-2,2,4-trimethylhexanoate

Drug info:

PubChemData

Smile

CCCC(=O)C(=O)OC

DOS

IR

Vibrations