Geometry & MOs

Info

ID:	379786
PubChem CID:	134464882
Reduced:	NSH37C53 (1)
Stoich.:	ABC37D53 (1)
Weight, g/mol:	627.2926
ΔH_f, kcal/mol:	198.61
Dipole, Da:	2.43
IP(EA), eV:	-8.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)C6=C7C8=CC=CC=C8SC7=CC=C6)C9=CC1=CC=CC=C1C1=CC=CC=C19)C

DOS

IR

Vibrations