Geometry & MOs

Info

ID:

442156

PubChem CID:

135250139

Reduced:

O2N5H35C42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

641.279075

ΔHf, kcal/mol:

102.02

Dipole, Da:

2.46

IP(EA), eV:

 -8.4(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[3-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)pyridin-2-yl]-11-phenylbenzo[a]carbazol-9-yl]pyridin-3-yl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations