Geometry & MOs

Info

ID:	148055
PubChem CID:	53787717
Reduced:	OC3H4 (2)
Stoich.:	AB3C4 (2)
Weight, g/mol:	451.288658
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	1.06
IP(EA), eV:	-9.4(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-cyano-6-fluorohexa-3,5-dienyl)cyclohexyl] 4-(4-propylphenyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=COCO1

DOS

IR

Vibrations