Geometry & MOs

Info

ID:	147429
PubChem CID:	53787085
Reduced:	BrNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	835.392649
ΔH_f, kcal/mol:	-131.26
Dipole, Da:	2.51
IP(EA), eV:	-8.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br)C(=O)OCC

DOS

IR

Vibrations