Geometry & MOs

Info

ID:	322596
PubChem CID:	126670612
Reduced:	ClFO4N5H27C35 (1)
Stoich.:	ABC4D5E27F35 (1)
Weight, g/mol:	441.220498
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	5.79
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-N,4-N-bis(4-phenylphenyl)benzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C3=CN=C(N=C3)C=O)CC(=O)N4[C@@H](C[C@@H]5C4C5)C(=O)NC6=CC=CC(=C6F)C7=CC=CC=C7Cl

DOS

IR

Vibrations