Geometry & MOs

Info

ID:

298152

PubChem CID:

117647777

Reduced:

N3H47C58 (1)

Stoich.:

A3B47C58 (1)

Weight, g/mol:

710.315795

ΔHf, kcal/mol:

201.38

Dipole, Da:

1.1

IP(EA), eV:

 -7.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,20,20-tetramethyl-N,N-diphenyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CC6=C(C7=C(C6(C)C)C=C(C=C7)C8=CC9=C(C=C8)C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)N=C5C4(C)C

DOS

IR

Vibrations