Geometry & MOs

Info

ID:	449544
PubChem CID:	135299456
Reduced:	NH43C64 (1)
Stoich.:	AB43C64 (1)
Weight, g/mol:	621.24565
ΔH_f, kcal/mol:	256.37
Dipole, Da:	0.85
IP(EA), eV:	-8.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-di(phenanthren-2-yl)-5-phenylphenanthren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)N(C4=CC=CC(=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C=C6)C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C=C1)C1=CC=CC=C1

DOS

IR

Vibrations