Geometry & MOs

Info

ID:	11070
PubChem CID:	110740
Reduced:	OC4H8 (2)
Stoich.:	AB4C8 (2)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-127.82
Dipole, Da:	2.26
IP(EA), eV:	-10.94(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexan-2-yl acetate

Drug info:

PubChemData

Smile

CCCCC(C)OC(=O)C

DOS

IR

Vibrations