Geometry & MOs

Info

ID:	226699
PubChem CID:	87556956
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	191.152144
ΔH_f, kcal/mol:	-165.33
Dipole, Da:	3.14
IP(EA), eV:	-10.19(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations