Geometry & MOs

Info

ID:	388536
PubChem CID:	134989414
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	6.38
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-3-ethylhex-2-enedioate

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C=C3CCCOC3=C2

DOS

IR

Vibrations