Geometry & MOs

Info

ID:

442160

PubChem CID:

135250189

Reduced:

N7C48H49 (1)

Stoich.:

A7B48C49 (1)

Weight, g/mol:

697.341676

ΔHf, kcal/mol:

147.81

Dipole, Da:

1.21

IP(EA), eV:

 -8.18(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyridin-3-yl]benzo[a]carbazol-9-yl]pyridin-3-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=CC(=N2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=C(C=C6)C8=NC(=CC=C8)N9C(=NC(C9(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations