Geometry & MOs

Info

ID:	4506
PubChem CID:	11511
Reduced:	C4H9 (2)
Stoich.:	A4B9 (2)
Weight, g/mol:	114.140851
ΔH_f, kcal/mol:	-46.49
Dipole, Da:	0.03
IP(EA), eV:	-10.76(4.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylhexane

Drug info:

PubChemData

Smile

CCC(C)CC(C)C

DOS

IR

Vibrations