Geometry & MOs

Info

ID:	8514
PubChem CID:	78806
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	2.37
IP(EA), eV:	-10.52(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-ethylbutanoate

Drug info:

PubChemData

Smile

CCC(CC)C(=O)OC(C)C

DOS

IR

Vibrations