Geometry & MOs

Info

ID:

309103

PubChem CID:

126537183

Reduced:

NH18C27 (2)

Stoich.:

AB18C27 (2)

Weight, g/mol:

704.293997

ΔHf, kcal/mol:

232.62

Dipole, Da:

2.9

IP(EA), eV:

 -8.78(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]-4-phenylquinazoline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C(C=CC=C31)C4=NC(=NC5=C4C=C(C=C5)C6=C7C8=CC=CC=C8C9(C7=CC=C6)C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC=C1)C

DOS

IR

Vibrations