Geometry & MOs

Info

ID:	449536
PubChem CID:	135299382
Reduced:	NH35C52 (1)
Stoich.:	AB35C52 (1)
Weight, g/mol:	673.27695
ΔH_f, kcal/mol:	223.17
Dipole, Da:	1.53
IP(EA), eV:	-8.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C=C5)C7=CC8=C(C=C7)C9=CC=CC=C9C=C8)C1=CC=CC=C1

DOS

IR

Vibrations