Geometry & MOs

Info

ID:	386506
PubChem CID:	134981978
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-176.1
Dipole, Da:	3.66
IP(EA), eV:	-8.51(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[(E)-but-1-enyl]but-2-enedioate

Drug info:

PubChemData

Smile

CCCCC#C/C(=C\1/CC(CC=C1CCCC)(C(=O)OCC)C(=O)OCC)/C

DOS

IR

Vibrations