Geometry & MOs

Info

ID:	53534
PubChem CID:	14716499
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	492.277678
ΔH_f, kcal/mol:	28.54
Dipole, Da:	6.55
IP(EA), eV:	-9.24(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-[4-(4-aminophenoxy)phenyl]-3,3,5-trimethylcyclohexyl]phenoxy]aniline

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC2=C(C=C1)C=CC(=C2C#N)C#N

DOS

IR

Vibrations