Geometry & MOs

Info

ID:	411502
PubChem CID:	135084333
Reduced:	BF3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-173.42
Dipole, Da:	8.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014257
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-enoxy-1,2-bis(prop-1-en-2-yl)cyclohexane

Drug info:

PubChemData

Smile

[B-](C1=CC=CC=C1C2=CC=CC=C2)(F)(F)F

DOS

IR

Vibrations