Geometry & MOs

Info

ID:	449552
PubChem CID:	135299533
Reduced:	O2F3N4H23C25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	794.366099
ΔH_f, kcal/mol:	-148.86
Dipole, Da:	6.92
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-(4-phenylphenyl)-N-[4-[(3Z)-5-(N-[4-(4-phenylphenyl)phenyl]anilino)hexa-1,3,5-trien-2-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=C(NC(=N2)CCO)C(F)(F)F)C(=O)N3CC(C3)C4=CC=C(C=C4)C#N)C

DOS

IR

Vibrations