Geometry & MOs

Info

ID:

298151

PubChem CID:

117647772

Reduced:

ClNO2F3H11C15 (1)

Stoich.:

ABC2D3E11F15 (1)

Weight, g/mol:

785.376999

ΔHf, kcal/mol:

-185.47

Dipole, Da:

8.6

IP(EA), eV:

 -10.22(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,10,20,20-tetramethyl-N-(4-methylphenyl)-N-phenyl-7-[6-(N-phenylanilino)naphthalen-2-yl]-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-17-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)COCC2=CN=C(C=C2)C(=O)Cl

DOS

IR

Vibrations