Geometry & MOs

Info

ID:	376425
PubChem CID:	134222438
Reduced:	O3C11H14 (2)
Stoich.:	A3B11C14 (2)
Weight, g/mol:	362.172939
ΔH_f, kcal/mol:	-229.63
Dipole, Da:	5.55
IP(EA), eV:	-9.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-hydroxy-2-(5-methyl-5-phenylmethoxyhex-3-ynyl)butanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C1OC(=O)[C@@](O1)(CC#CC(C)(C)OCC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations