Geometry & MOs

Info

ID:

313399

PubChem CID:

126614406

Reduced:

SN2H38C51 (1)

Stoich.:

AB2C38D51 (1)

Weight, g/mol:

605.246713

ΔHf, kcal/mol:

208.61

Dipole, Da:

1.16

IP(EA), eV:

 -7.94(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexa-2,4-dien-1-yl-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1CC(=CC=C1C2=CC3=C(C=C2)C4=C(C=C3)C=CC5=C4NC(S5)C6=CC=CC=C6)N(C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations