Geometry & MOs

Info

ID:	229745
PubChem CID:	87568766
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	382.30831
ΔH_f, kcal/mol:	-54.52
Dipole, Da:	3.36
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(2-ethylbutyl)-9-methyldec-2-enedioic acid

Drug info:

PubChemData

Smile

C1CCN(C1)NC(=O)/C(=C\C2=CC=C(C=C2)/C=C/C(=O)NO)/C3=CC=C(C=C3)F

DOS

IR

Vibrations