Geometry & MOs

Info

ID:

324976

PubChem CID:

126679008

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

215.49

Dipole, Da:

2.93

IP(EA), eV:

 -7.87(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-10-(4-phenylquinazolin-2-yl)-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C3C=C6C(=C5)C7=CC=CC=C7O6)C8=C(C=C4)N(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations