Geometry & MOs

Info

ID:	337790
PubChem CID:	127258413
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-227.38
Dipole, Da:	2.88
IP(EA), eV:	-10.61(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-methylidene-3-[(4-propan-2-ylphenyl)methylidene]butanedioic acid

Drug info:

PubChemData

Smile

CC1(CCCC(OC(=O)CCC(=O)O1)(C)C)C

DOS

IR

Vibrations