Geometry & MOs

Info

ID:	322926
PubChem CID:	126671591
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	1.35
IP(EA), eV:	-8.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylheptan-2-yl)phenoxy]oxane

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=C(C=C(C=C2)C3=CC=C(C=C3)COC4CCCC4)O

DOS

IR

Vibrations