Geometry & MOs

Info

ID:

442234

PubChem CID:

135250726

Reduced:

N8C61H64 (1)

Stoich.:

A8B61C64 (1)

Weight, g/mol:

599.28964

ΔHf, kcal/mol:

190.83

Dipole, Da:

3.8

IP(EA), eV:

 -8.39(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2,6-bis[3-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=NC(=N4)C5=CC=C(C=C5)N6C(=NC(C6(C)C)(C)C)C7=CC=CC=C7)C8=CC=C(C=C8)N9C(=NC(C9(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations