Geometry & MOs

Info

ID:	23549
PubChem CID:	604580
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-179.59
Dipole, Da:	3.63
IP(EA), eV:	-9.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(C)(C)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations