Geometry & MOs

Info

ID:	229687
PubChem CID:	87568459
Reduced:	OSC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	312.23006
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	4.88
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylbutyl)-2,9-dimethyldec-2-enedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)CCOC=S

DOS

IR

Vibrations