Geometry & MOs

Info

ID:

315075

PubChem CID:

126624343

Reduced:

N2H37C52 (2)

Stoich.:

A2B37C52 (2)

Weight, g/mol:

1185.372897

ΔHf, kcal/mol:

472.59

Dipole, Da:

0.36

IP(EA), eV:

 -7.72(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[10-[3-[N-naphthalen-1-yl-4-(1,2,2-trifluoroethenoxy)anilino]phenyl]-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C=C)C5=CC=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=CC1=C(C=C9)N(C2=C1C=C(C=C2)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C=C)C1=CC=C(C=C1)C1=CC=C(C=C1)C=C)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations