Geometry & MOs

Info

ID:	149029
PubChem CID:	53788700
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	304.220244
ΔH_f, kcal/mol:	-12.8
Dipole, Da:	2.7
IP(EA), eV:	-9.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-4-[4-(4-fluorobut-3-enyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC1=NN=CC=C1

DOS

IR

Vibrations