Geometry & MOs

Info

ID:

311224

PubChem CID:

126589956

Reduced:

ON2H24C31 (1)

Stoich.:

AB2C24D31 (1)

Weight, g/mol:

644.257612

ΔHf, kcal/mol:

169.35

Dipole, Da:

4.14

IP(EA), eV:

 -7.23(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-14-oxa-18-azahexacyclo[13.11.0.02,7.08,13.017,25.019,24]hexacosa-1(15),2,4,6,8,10,12,16,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

CC1C=CC=C2N1[C@@H](C3=CC=CC=C32)C4C5=C(C6N4C=CC=C6)C7=C(C=C5)C8=CC=CC=C8O7

DOS

IR

Vibrations