Geometry & MOs

Info

ID:	226264
PubChem CID:	87350260
Reduced:	PO4C46H69 (1)
Stoich.:	AB4C46D69 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-276.05
Dipole, Da:	1.64
IP(EA), eV:	-8.43(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-oxopentyl)propanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)OCCCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations