Geometry & MOs

Info

ID:	449539
PubChem CID:	135299419
Reduced:	NH33C50 (1)
Stoich.:	AB33C50 (1)
Weight, g/mol:	825.33955
ΔH_f, kcal/mol:	204.55
Dipole, Da:	1.07
IP(EA), eV:	-8.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[4-(3-phenanthren-2-ylphenyl)phenyl]-2-phenylaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C=C5)C7=CC=C(C=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C=C9

DOS

IR

Vibrations