Geometry & MOs

Info

ID:	379785
PubChem CID:	134464881
Reduced:	NH39C50 (1)
Stoich.:	AB39C50 (1)
Weight, g/mol:	719.264671
ΔH_f, kcal/mol:	161.48
Dipole, Da:	1.08
IP(EA), eV:	-8.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C)C)C7=CC8=CC=CC=C8C9=CC=CC=C97)C2=CC=CC=C21)C

DOS

IR

Vibrations