Geometry & MOs

Info

ID:

442210

PubChem CID:

135250582

Reduced:

O2N5H33C37 (1)

Stoich.:

A2B5C33D37 (1)

Weight, g/mol:

580.258674

ΔHf, kcal/mol:

75.72

Dipole, Da:

2.16

IP(EA), eV:

 -9.15(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CN=C(C=C2)C3=CC(=CC(=N3)C4=NC=C(C=C4)C5=NC(CO5)(C)C)C6=CC=C(C=C6)C7=CC=CC=C7)C

DOS

IR

Vibrations