Geometry & MOs

Info

ID:	21753
PubChem CID:	589776
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-202.13
Dipole, Da:	2.72
IP(EA), eV:	-8.99(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methyl-2-[(5-methyl-2-propan-2-ylphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC1=C(C=CC(=C1)C)C(C)C)C(=O)OCC

DOS

IR

Vibrations