Geometry & MOs

Info

ID:

314390

PubChem CID:

126621741

Reduced:

NOH17C28 (1)

Stoich.:

ABC17D28 (1)

Weight, g/mol:

677.246713

ΔHf, kcal/mol:

96.74

Dipole, Da:

2.28

IP(EA), eV:

 -8.11(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[1-(9,9-dimethylfluoren-2-yl)benzo[f]quinazolin-3-yl]-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C5C(=C4)C=CC6=C5C7=CC=CC=C7O6

DOS

IR

Vibrations