Geometry & MOs

Info

ID:	442200
PubChem CID:	135250498
Reduced:	ON2H17C21 (2)
Stoich.:	AB2C17D21 (2)
Weight, g/mol:	584.362745
ΔH_f, kcal/mol:	103.06
Dipole, Da:	0.63
IP(EA), eV:	-8.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-6-phenylpyrimidine

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=NC=C(C=C2)C3=C4C5=CC=CC=C5C6=CC=CC=C6C4=C(C7=CC=CC=C73)C8=CN=C(C=C8)C9=NC(CO9)(C)C)C

DOS

IR

Vibrations