Geometry & MOs

Info

ID:	309636
PubChem CID:	126551621
Reduced:	F3C23H37 (1)
Stoich.:	A3B23C37 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-230.18
Dipole, Da:	3.52
IP(EA), eV:	-9.18(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylprop-1-enoxymethyl)-3-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C2CCC(=CC2)C3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations