Geometry & MOs

Info

ID:	379774
PubChem CID:	134464845
Reduced:	NH41C54 (1)
Stoich.:	AB41C54 (1)
Weight, g/mol:	663.2926
ΔH_f, kcal/mol:	175.12
Dipole, Da:	0.92
IP(EA), eV:	-7.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)N(C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C9=CC1=CC=CC=C1C1=CC=CC=C19)C

DOS

IR

Vibrations