Geometry & MOs

Info

ID:

442209

PubChem CID:

135250579

Reduced:

N7H55C59 (1)

Stoich.:

A7B55C59 (1)

Weight, g/mol:

579.263425

ΔHf, kcal/mol:

228.64

Dipole, Da:

3.37

IP(EA), eV:

 -8.59(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]-4-(4-phenylphenyl)pyridin-2-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=NC(C(N8C9=CC=CC=C9)(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations