Geometry & MOs

Info

ID:	9967
PubChem CID:	95554
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	2.24
IP(EA), eV:	-10.67(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-ethylbutanoate

Drug info:

PubChemData

Smile

CCC(CC)C(=O)OCC(C)C

DOS

IR

Vibrations