Geometry & MOs

Info

ID:	449570
PubChem CID:	135299732
Reduced:	NH45C62 (1)
Stoich.:	AB45C62 (1)
Weight, g/mol:	687.2926
ΔH_f, kcal/mol:	236.81
Dipole, Da:	0.63
IP(EA), eV:	-7.91(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1C=C2)C

DOS

IR

Vibrations