Geometry & MOs

Info

ID:

324996

PubChem CID:

126679121

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

140.28

Dipole, Da:

1.75

IP(EA), eV:

 -7.88(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-2-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C6=C(N5C7=CC=CC=C7)C8=C(C=C6)OC9=CC=CC=C98

DOS

IR

Vibrations