Geometry & MOs

Info

ID:	226700
PubChem CID:	87556958
Reduced:	NO3C9H21 (1)
Stoich.:	AB3C9D21 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-178.54
Dipole, Da:	2.92
IP(EA), eV:	-10.24(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-4-hydroxyhexan-3-yl) formate

Drug info:

PubChemData

Smile

CCC(C(CC)(CC)[NH3+])O.C(=O)[O-]

DOS

IR

Vibrations