Geometry & MOs

Info

ID:

315683

PubChem CID:

126628536

Reduced:

NOH39C55 (1)

Stoich.:

ABC39D55 (1)

Weight, g/mol:

612.231397

ΔHf, kcal/mol:

185.92

Dipole, Da:

0.97

IP(EA), eV:

 -7.91(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=CC8=C7OC9=C8C=CC=C9C1=CC=CC=C1

DOS

IR

Vibrations