Geometry & MOs

Info

ID:	337819
PubChem CID:	127258442
Reduced:	OC2H4 (4)
Stoich.:	AB2C4 (4)
Weight, g/mol:	242.22458
ΔH_f, kcal/mol:	-205.93
Dipole, Da:	3.22
IP(EA), eV:	-10.44(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diethyl-4-methylhexan-3-yl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CO)CO

DOS

IR

Vibrations