Geometry & MOs

Info

ID:	441195
PubChem CID:	135233528
Reduced:	N2H42C53 (1)
Stoich.:	A2B42C53 (1)
Weight, g/mol:	419.1674
ΔH_f, kcal/mol:	179.66
Dipole, Da:	2.2
IP(EA), eV:	-8.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-naphthalen-2-yl-8-phenylbenzo[a]carbazole

Drug info:

PubChemData

Smile

CC1CC(C(NC2=CC=CC=C12)C3=CC=C(C=C3)C4CC5=CC6=C(C=C5C7=C4C8=CC=CC=C8C=C7)C9=CC=CC=C9N6C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations