Geometry & MOs

Info

ID:	6774
PubChem CID:	69951
Reduced:	O2C7H14 (1)
Stoich.:	A2B7C14 (1)
Weight, g/mol:	130.09938
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	1.84
IP(EA), eV:	-10.67(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethylbutanoate

Drug info:

PubChemData

Smile

CCC(CC)C(=O)OC

DOS

IR

Vibrations