Geometry & MOs

Info

ID:	4929
PubChem CID:	12294
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	2.07
IP(EA), eV:	-10.72(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCCCC

DOS

IR

Vibrations