Geometry & MOs

Info

ID:	337986
PubChem CID:	127258609
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-168.63
Dipole, Da:	1.96
IP(EA), eV:	-9.74(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylbutyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(CC)OC

DOS

IR

Vibrations