Geometry & MOs

Info

ID:	5450
PubChem CID:	13174
Reduced:	OC4H8 (2)
Stoich.:	AB4C8 (2)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	2.19
IP(EA), eV:	-10.66(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)CC

DOS

IR

Vibrations