Geometry & MOs

Info

ID:	163458
PubChem CID:	57983045
Reduced:	BrO3N6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	688.287849
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	4.83
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)Br)[N+](=O)[O-])CC4=CC(=NC=C4)N

DOS

IR

Vibrations