Geometry & MOs

Info

ID:	309223
PubChem CID:	126540665
Reduced:	NO2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	-228.99
Dipole, Da:	2.8
IP(EA), eV:	-9.97(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2-methylidenepentanoate

Drug info:

PubChemData

Smile

CCCNC(=O)OCC(C)(CC)COC(=O)NCCC

DOS

IR

Vibrations