Geometry & MOs

Info

ID:	309317
PubChem CID:	126544557
Reduced:	N3C23H29 (1)
Stoich.:	A3B23C29 (1)
Weight, g/mol:	378.272279
ΔH_f, kcal/mol:	70.38
Dipole, Da:	3.09
IP(EA), eV:	-8.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCC(=C)C1=CN=C(C=C1)CN(C2=CC=CC=C2)C(=C)C3CCNCC3

DOS

IR

Vibrations