Geometry & MOs

Info

ID:

297618

PubChem CID:

117624001

Reduced:

FNH30C39 (2)

Stoich.:

ABC30D39 (2)

Weight, g/mol:

947.430257

ΔHf, kcal/mol:

168.85

Dipole, Da:

2.66

IP(EA), eV:

 -7.7(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(4-tert-butylphenyl)-2,14-bis(3-fluorophenyl)-10,10,22,22-tetramethyl-N,N-dinaphthalen-2-ylhexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16(21),17,19-undecaen-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(C5=CC6=C(C7=C(C6(C)C)C=C(C=C7)N(C8=CC=C(C=C8)C)C9=CC=CC=C9C1=CC=CC=C1)C(=C5C=C4C3(C)C)C1=CC=CC=C1F)C1=CC=CC=C1F)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations