Geometry & MOs

Info

ID:	377939
PubChem CID:	134224006
Reduced:	ON2C28H36 (1)
Stoich.:	AB2C28D36 (1)
Weight, g/mol:	531.194677
ΔH_f, kcal/mol:	29.31
Dipole, Da:	2.68
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C/C=C\[C@@](C)(C([C@@H](C)C(C)CC=C)N=C(/C=C(/C1=CC=CC=C1)\N)C2=CC=CC=C2)O

DOS

IR

Vibrations