Geometry & MOs

Info

ID:	199803
PubChem CID:	79297917
Reduced:	O3C17H30 (1)
Stoich.:	A3B17C30 (1)
Weight, g/mol:	178.112443
ΔH_f, kcal/mol:	-155.11
Dipole, Da:	2.34
IP(EA), eV:	-10.06(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(methoxymethyl)-2-methylhexane

Drug info:

PubChemData

Smile

CCC1(C2(O1)CCCC(CC2)C(C)(C)C)C(=O)OCC

DOS

IR

Vibrations