Geometry & MOs

Info

ID:	224677
PubChem CID:	85345869
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-216.71
Dipole, Da:	7.37
IP(EA), eV:	-9.29(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,2-dimethyl-3-[3-(4-methylphenyl)but-2-enoyl]butanedioate

Drug info:

PubChemData

Smile

CC(C1(CC(OC2=C1C(=O)OC3=CC=CC=C32)OC(C)(C)C)C)O

DOS

IR

Vibrations