Geometry & MOs

Info

ID:

442110

PubChem CID:

135249873

Reduced:

N3H26C28 (2)

Stoich.:

A3B26C28 (2)

Weight, g/mol:

468.183778

ΔHf, kcal/mol:

207.21

Dipole, Da:

6.46

IP(EA), eV:

 -8.28(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[10-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]anthracen-9-yl]phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=N3)C4=C5C=CC(=CC5=C(C6=CC=CC=C64)C7=NC(=CC=C7)N8C(=NC(C8(C)C)(C)C)C9=CC=CC=C9)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations