Geometry & MOs

Info

ID:	57217
PubChem CID:	22395495
Reduced:	O8H11C15 (1)
Stoich.:	A8B11C15 (1)
Weight, g/mol:	226.047738
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.909260
Charge, e:	-2

Chem-info

IUPAC name:

(Z)-2-[2-(2-methylprop-2-enoyloxy)ethyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations