Geometry & MOs

Info

ID:	13756
PubChem CID:	397908
Reduced:	NOC17H17 (2)
Stoich.:	ABC17D17 (2)
Weight, g/mol:	502.262028
ΔH_f, kcal/mol:	1.18
Dipole, Da:	4.29
IP(EA), eV:	-8.34(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-[4-(4-aminophenoxy)phenyl]-1-adamantyl]phenoxy]aniline

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N

DOS

IR

Vibrations