Geometry & MOs

Info

ID:	447087
PubChem CID:	135280177
Reduced:	ON4H28C48 (1)
Stoich.:	AB4C28D48 (1)
Weight, g/mol:	525.20311
ΔH_f, kcal/mol:	215.95
Dipole, Da:	3.19
IP(EA), eV:	-7.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,7-ditert-butyl-9,9-dimethyl-10-naphthalen-1-ylacridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=C(C=C(C=C5)C6=CC=C7C8=C(C=CC=C68)C9=C1N7C2=CC=CC=C2OC1=CC=C9)C1=CC=CC=C14

DOS

IR

Vibrations