Geometry & MOs

Info

ID:

442155

PubChem CID:

135250133

Reduced:

O2N5H35C42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

641.279075

ΔHf, kcal/mol:

105.02

Dipole, Da:

2.38

IP(EA), eV:

 -8.19(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]-7-phenylbenzo[c]carbazol-5-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=CC(=N2)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=NC(=CC=C8)C9=NC(CO9)(C)C)C

DOS

IR

Vibrations