Geometry & MOs

Info

ID:	4822
PubChem CID:	12096
Reduced:	C4H9 (2)
Stoich.:	A4B9 (2)
Weight, g/mol:	114.140851
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	0.08
IP(EA), eV:	-10.75(4.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylhexane

Drug info:

PubChemData

Smile

CCCC(CC)CC

DOS

IR

Vibrations