Geometry & MOs

Info

ID:	10984
PubChem CID:	109696
Reduced:	O4C9H13 (2)
Stoich.:	A4B9C13 (2)
Weight, g/mol:	370.162768
ΔH_f, kcal/mol:	-339.46
Dipole, Da:	8.93
IP(EA), eV:	-11.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-4-oxobut-2-enoic acid;4-cyclohexyloxy-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C=CC(=O)O.C1CCC(CC1)OC(=O)C=CC(=O)O

DOS

IR

Vibrations