Geometry & MOs

Info

ID:	23737
PubChem CID:	605735
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	2.49
IP(EA), eV:	-9.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4-dimethyl-2-(3-methylbutanoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)OC)C(=O)CC(C)C)C

DOS

IR

Vibrations