Geometry & MOs

Info

ID:	4599
PubChem CID:	11702
Reduced:	OC7H16 (1)
Stoich.:	AB7C16 (1)
Weight, g/mol:	116.120115
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	1.79
IP(EA), eV:	-10.21(2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylpentan-3-ol

Drug info:

PubChemData

Smile

CCC(CC)(CC)O

DOS

IR

Vibrations