Geometry & MOs

Info

ID:	407579
PubChem CID:	135080327
Reduced:	OC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	0.22
IP(EA), eV:	-10.26(2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3,4-trimethyl-2-phenylpentanoate

Drug info:

PubChemData

Smile

CCCCC[C@@](C)(C(C)(C)O)O

DOS

IR

Vibrations