Geometry & MOs

Info

ID:	207680
PubChem CID:	80437082
Reduced:	ION3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	260.073471
ΔH_f, kcal/mol:	6.26
Dipole, Da:	2.7
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)-5-methylhexan-3-ol

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(C(=N2)N)I)CC(C)C

DOS

IR

Vibrations