Geometry & MOs

Info

ID:	160440
PubChem CID:	57309788
Reduced:	O5C21H40 (1)
Stoich.:	A5B21C40 (1)
Weight, g/mol:	411.330129
ΔH_f, kcal/mol:	-308.54
Dipole, Da:	1.89
IP(EA), eV:	-10.37(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[1-[4-(1-pentylcyclohexyl)butyl]cyclohexyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCC([C@H]1[C@H](C(CC1O)O)CCCCCCC(=O)OC)O

DOS

IR

Vibrations